data_2ml2_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 2ml2 _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 ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo . . . . . 0 N--CA 1.462 -0.337 0 N-CA-C 113.583 0.57 . . . . 25.0 113.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mt -82.41 124.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.02 113.37 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 123.117 1.437 . . . . 25.0 107.674 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.14 2.26 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 112.984 -1.917 . . . . 25.0 110.606 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -132.2 174.31 10.35 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.215 -0.579 . . . . 25.0 110.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.65 4.64 46.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.743 0.782 . . . . 25.0 109.279 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.46 172.41 13.83 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 114.853 -1.067 . . . . 25.0 108.256 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.64 100.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.865 -1.531 . . . . 25.0 106.865 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -87.98 120.75 29.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -111.7 95.15 5.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 166.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -136.68 153.9 50.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -127.57 148.62 50.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.924 0.868 . . . . 25.0 112.11 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.27 -40.75 2.73 Favored Glycine 0 CA--C 1.506 -0.514 0 CA-C-N 113.765 -1.561 . . . . 25.0 110.631 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p 46.32 -144.92 0.23 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.121 -1.039 . . . . 25.0 110.53 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.58 -11.26 10.51 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.758 2.133 . . . . 25.0 116.758 -170.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -61.08 139.44 58.08 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.63 42.76 2.97 Favored Glycine 0 C--O 1.221 -0.664 0 N-CA-C 109.694 -1.363 . . . . 25.0 109.694 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 23' ' ' LEU . 29.5 tt0 -147.18 149.78 33.63 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 -177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.268 3.2 tp10 -140.76 156.45 46.17 Favored 'General case' 0 C--O 1.203 -1.357 0 N-CA-C 115.065 1.506 . . . . 75.0 115.065 -171.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.42 139.58 20.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 124.696 1.198 . . . . 25.0 108.822 -164.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -117.53 146.76 43.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 78.0 0.08 OUTLIER Glycine 0 N--CA 1.462 0.397 0 C-N-CA 119.631 -1.271 . . . . 25.0 114.489 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -31.35 -77.5 0.03 OUTLIER Glycine 0 C--O 1.236 0.24 0 N-CA-C 119.823 2.689 . . . . 25.0 119.823 -169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.54 -177.22 13.06 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-O 122.618 1.121 . . . . 25.0 114.036 -174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.54 165.01 5.46 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.525 1.37 . . . . 25.0 116.525 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.37 81.62 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.2 151.9 36.77 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.413 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -129.04 103.99 7.31 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -126.65 120.84 30.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.3 136.12 49.98 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 105.99 -1.855 . . . . 25.0 105.99 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.69 -8.04 4.03 Favored Glycine 0 C--O 1.212 -1.229 0 N-CA-C 115.356 0.902 . . . . 25.0 115.356 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 18.13 -97.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 119.253 3.057 . . . . 25.0 119.253 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 167.77 54.83 Favored Glycine 0 N--CA 1.465 0.629 0 O-C-N 120.822 -1.174 . . . . 25.0 115.586 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.72 165.56 22.34 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-O 121.797 0.665 . . . . 25.0 112.702 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.48 136.07 17.73 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 106.492 -2.643 . . . . 25.0 106.492 171.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -127.71 152.89 47.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.513 1.157 . . . . 50.0 109.06 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 95.9 mt -136.87 97.96 3.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -122.56 132.73 54.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -167.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 116.85 25.03 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.751 -1.113 . . . . 25.0 108.486 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.45 -22.43 54.01 Favored Glycine 0 N--CA 1.463 0.482 0 N-CA-C 116.782 1.473 . . . . 25.0 116.782 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.47 -159.35 38.1 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.42 2.678 . . . . 25.0 114.302 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.17 151.84 21.85 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 109.337 -3.431 . . . . 25.0 112.419 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.49 -174.68 35.21 Favored Glycine 0 C--N 1.312 -0.756 0 CA-C-N 113.428 -1.715 . . . . 25.0 113.107 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -104.88 107.79 18.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -110.12 156.67 20.28 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.999 -167.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -119.62 108.59 14.65 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.0 mt -120.68 108.7 14.33 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.037 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.47 140.41 37.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.283 -0.886 . . . . 25.0 109.549 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.35 -21.58 2.01 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 115.891 1.116 . . . . 25.0 115.891 -175.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.25 -130.39 41.15 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-O 126.116 3.065 . . . . 25.0 116.635 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -63.27 151.14 41.42 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 108.774 -3.713 . . . . 25.0 110.554 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 161.6 37.44 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 115.513 0.965 . . . . 25.0 115.513 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.58 68.68 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.935 -1.506 . . . . 25.0 106.935 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -68.61 154.19 42.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.645 -1.616 . . . . 50.0 109.229 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.0 m -114.97 101.66 9.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -97.73 124.09 41.93 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.534 -3.136 . . . . 25.0 102.534 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -127.94 149.94 50.11 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.701 0.762 . . . . 25.0 112.044 -165.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -121.57 103.13 8.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.567 -1.197 . . . . 25.0 112.795 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.46 2.15 36.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.272 -2.492 . . . . 25.0 104.272 160.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.407 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -90.58 91.11 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.119 -1.4 . . . . 25.0 110.816 -175.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -86.76 -72.04 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' HH21 ' A' ' 134' ' ' ARG . 14.7 mp0 -71.29 -17.09 62.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -73.8 -8.25 55.33 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 114.3 -1.318 . . . . 25.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -131.98 38.31 3.53 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.707 -0.679 . . . . 25.0 110.566 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 16.7 pt20 -102.6 163.63 12.11 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -135.98 156.71 48.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -178.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.7 p -150.96 167.72 26.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.268 -1.753 . . . . 25.0 106.268 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.78 -26.15 67.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.68 53.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 25.0 112.48 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.99 154.81 6.31 Favored Glycine 0 C--N 1.316 -0.575 0 CA-C-N 115.287 -0.869 . . . . 25.0 113.393 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 7.4 p -118.72 143.17 47.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.45 -0.441 . . . . 25.0 109.996 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -125.95 91.99 3.5 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 103.955 -2.609 . . . . 25.0 103.955 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 p -122.83 -179.59 4.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.353 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.23 109.66 15.66 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.32 104.27 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.27 125.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.67 165.99 10.93 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 22.32 80.16 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 117.183 2.29 . . . . 25.0 117.183 -175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.39 42.31 1.63 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 114.984 1.475 . . . . 25.0 114.984 -171.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -141.2 71.07 27.77 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 118.207 2.669 . . . . 25.0 118.207 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.62 21.26 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 N-CA-C 110.376 -0.663 . . . . 25.0 110.376 163.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.8 p 58.97 4.18 0.39 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.849 1.66 . . . . 25.0 114.974 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -136.59 29.81 2.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.335 0.654 . . . . 25.0 110.739 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.81 156.36 20.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.848 -1.538 . . . . 50.0 106.848 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -111.03 132.55 54.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.328 1.061 . . . . 25.0 112.064 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.35 122.89 27.15 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.758 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.75 15.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -65.22 -30.77 71.68 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.081 -0.387 . . . . 25.0 111.944 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.47 -14.01 61.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.13 -13.71 37.86 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.02 -51.11 4.25 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 109.339 -1.504 . . . . 25.0 109.339 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 21.4 t80 72.24 125.53 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.702 1.601 . . . . 25.0 110.149 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.0 p -78.55 -24.82 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.72 178.22 15.63 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 110.228 -1.149 . . . . 25.0 110.228 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.72 34.84 4.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.025 0.917 . . . . 25.0 110.162 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.58 57.34 4.48 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.363 -0.835 . . . . 25.0 114.487 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 56.67 26.9 11.81 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.163 1.542 . . . . 25.0 115.163 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 6.36 86.48 Favored Glycine 0 C--O 1.229 -0.179 0 N-CA-C 117.342 1.697 . . . . 25.0 117.342 171.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -117.46 167.53 11.2 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.184 0.992 . . . . 25.0 109.889 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.16 37.86 28.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.894 0.878 . . . . 25.0 110.287 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.17 -8.6 30.71 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 115.438 0.935 . . . . 25.0 115.438 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 p -77.06 172.8 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.583 0.691 . . . . 25.0 109.939 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.15 168.68 8.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.95 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.13 140.51 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -146.21 153.02 40.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.67 132.89 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.324 -1.361 . . . . 25.0 107.324 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.02 122.23 39.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.94 -27.05 49.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 25.0 111.278 -175.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.04 -26.57 65.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.388 0.613 . . . . 25.0 109.583 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.75 -10.01 51.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.758 -0.937 . . . . 25.0 110.758 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.71 32.12 11.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.107 0.963 . . . . 25.0 111.165 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.63 153.32 50.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.83 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -122.89 106.34 10.79 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.196 -2.52 . . . . 25.0 104.196 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.39 141.04 29.14 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 111.51 -2.586 . . . . 25.0 108.845 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.77 121.43 30.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 174.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -157.95 170.43 22.35 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.8 t -119.69 155.7 31.9 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 103.489 -2.782 . . . . 25.0 103.489 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.13 2.51 1.71 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.01 -33.92 76.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.512 0.672 . . . . 25.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.7 p -135.21 137.07 42.28 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -130.19 -73.09 0.56 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.994 -1.457 . . . . 25.0 109.799 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.82 -28.84 50.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.4 mp0 -78.78 -22.21 46.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.319 -1.309 . . . . 25.0 111.449 -175.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.2 84.47 0.07 OUTLIER Glycine 0 C--O 1.22 -0.769 0 N-CA-C 106.642 -2.583 . . . . 25.0 106.642 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.464 HH21 ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.23 127.93 33.6 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.848 1.308 . . . . 25.0 109.614 -172.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.34 165.96 12.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 112.438 -2.165 . . . . 25.0 110.251 -164.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 50.2 m-85 -90.87 154.51 19.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.856 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.81 130.5 16.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.005 0.522 . . . . 25.0 110.793 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.29 163.79 30.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.2 144.64 31.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tt -135.0 129.85 34.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -79.5 111.21 15.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.41 177.07 22.39 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 107.152 -2.379 . . . . 25.0 107.152 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -119.73 26.31 9.43 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 13.21 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -73.72 -28.43 61.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 170.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.08 60.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.38 36.8 3.78 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 118.07 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 99.2 p -160.16 164.22 33.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.71 68.54 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.223 0.535 . . . . 25.0 110.842 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.58 -33.09 68.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.953 -0.467 . . . . 25.0 110.21 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.68 -41.65 44.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.8 mt -129.1 121.3 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.878 -0.514 . . . . 25.0 112.147 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.9 tp -93.58 134.02 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -141.14 171.02 14.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.12 31.31 2.68 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.319 0.58 . . . . 25.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 120.933 0.305 . . . . 25.0 112.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.07 130.75 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 105.484 -2.043 . . . . 25.0 105.484 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.25 109.89 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 122.874 1.321 . . . . 25.0 108.324 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.08 -136.76 2.78 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 113.32 -1.764 . . . . 25.0 109.969 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.5 t -132.3 170.23 15.35 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.267 -0.549 . . . . 25.0 110.746 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.82 4.38 44.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.507 0.67 . . . . 25.0 109.331 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 tp -81.85 175.47 10.39 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.72 110.81 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 173.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -95.96 123.66 39.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -116.35 94.99 4.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 165.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.9 mt -136.45 154.03 50.89 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 -173.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.91 148.91 52.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.804 0.811 . . . . 25.0 112.645 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -99.95 -39.74 3.26 Favored Glycine 0 CA--C 1.492 -1.354 0 CA-C-N 114.175 -1.375 . . . . 25.0 112.017 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 p 44.9 -142.58 0.22 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 113.591 -1.305 . . . . 25.0 110.694 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -14.52 35.84 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 116.787 2.143 . . . . 25.0 116.787 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.33 140.31 58.02 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.75 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.91 51.73 4.6 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 108.919 -1.672 . . . . 25.0 108.919 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -151.86 144.82 24.47 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 103.933 -2.618 . . . . 25.0 103.933 -175.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -141.05 -179.56 6.16 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 112.516 0.562 . . . . 75.0 112.516 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.2 mp -113.35 141.42 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -114.21 149.72 35.36 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.14 74.92 0.05 OUTLIER Glycine 0 N--CA 1.465 0.631 0 C-N-CA 119.901 -1.142 . . . . 25.0 113.613 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.05 -74.88 0.06 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.226 2.851 . . . . 25.0 120.226 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.24 -175.93 10.26 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-O 122.56 1.089 . . . . 25.0 114.908 -173.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 169.29 8.75 Favored Glycine 0 C--N 1.313 -0.746 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.91 82.23 4.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.48 149.47 35.02 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -171.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.28 104.45 7.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.76 120.29 28.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 -171.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -112.16 136.04 52.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.51 -5.84 3.55 Favored Glycine 0 C--O 1.21 -1.396 0 N-CA-C 116.577 1.391 . . . . 25.0 116.577 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 18.42 -96.4 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 118.157 2.651 . . . . 25.0 118.157 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.78 166.54 53.19 Favored Glycine 0 C--O 1.257 1.535 0 CA-C-O 122.725 1.181 . . . . 25.0 115.242 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.46 166.76 35.21 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.22 -0.99 . . . . 25.0 111.073 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.11 130.86 10.45 Favored Glycine 0 C--N 1.316 -0.552 0 N-CA-C 106.918 -2.473 . . . . 25.0 106.918 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -124.34 157.33 35.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.945 0.373 . . . . 50.0 111.464 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.88 98.55 3.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.15 143.01 50.74 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.66 161.41 39.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.85 34.24 1.24 Allowed Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.208 -0.996 . . . . 25.0 114.01 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 17.44 -126.04 0.01 OUTLIER Glycine 0 CA--C 1.509 -0.313 0 N-CA-C 119.816 2.686 . . . . 25.0 119.816 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 146.25 55.18 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.743 -1.729 . . . . 25.0 113.329 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 -171.94 22.88 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-N 113.559 -1.655 . . . . 25.0 116.806 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -99.89 111.55 23.86 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 102.127 -3.286 . . . . 25.0 102.127 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -121.37 158.78 27.52 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.974 -1.012 . . . . 50.0 113.381 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -123.31 106.05 10.37 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.3 mt -120.56 106.79 12.12 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 110.506 -0.183 . . . . 25.0 110.506 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.7 142.43 34.36 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.407 -0.808 . . . . 25.0 110.283 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.17 -21.93 1.61 Allowed Glycine 0 C--O 1.224 -0.497 0 N-CA-C 115.744 1.058 . . . . 25.0 115.744 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.87 -131.9 50.05 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-O 126.206 3.115 . . . . 25.0 116.588 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.3 147.22 48.83 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 108.46 -3.87 . . . . 25.0 110.28 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 164.4 40.12 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 115.865 1.106 . . . . 25.0 115.865 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.32 67.44 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.779 1.232 . . . . 25.0 107.859 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -68.31 153.29 44.04 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.934 -1.485 . . . . 50.0 109.38 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.1 m -112.03 111.28 22.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.504 0.668 . . . . 25.0 109.279 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -103.98 127.96 51.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.933 -2.247 . . . . 25.0 104.933 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -114.46 138.23 50.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.373 0.606 . . . . 25.0 112.041 -169.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.59 102.29 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.833 . . . . 25.0 112.447 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.47 4.82 30.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 164.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.33 85.01 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.039 -1.437 . . . . 25.0 112.059 -171.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -84.39 -68.4 0.72 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.902 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -68.7 -23.01 64.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.565 1.174 . . . . 25.0 108.815 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.19 -6.33 47.13 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.269 -1.332 . . . . 25.0 111.458 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -141.18 48.52 1.67 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 23.2 pt20 -102.79 160.76 14.31 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.46 151.87 50.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.338 -0.846 . . . . 25.0 113.266 -176.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.88 169.34 21.96 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.132 -1.803 . . . . 25.0 106.132 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.32 -25.53 66.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.13 -4.8 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 25.0 112.072 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.4 151.09 5.34 Favored Glycine 0 C--N 1.317 -0.482 0 CA-C-N 115.137 -0.938 . . . . 25.0 113.956 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.8 t -118.45 136.8 53.58 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -125.41 92.27 3.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -128.27 164.84 21.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.75 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.67 118.11 30.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 50.0 109.67 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.81 105.09 17.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -81.87 124.45 39.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.2 mt -100.99 165.99 11.04 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 22.41 80.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -140.79 43.18 1.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -139.59 69.86 38.21 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -87.22 20.95 1.12 Allowed 'Trans proline' 0 CA--C 1.541 0.859 0 N-CA-C 110.221 -0.723 . . . . 25.0 110.221 163.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 58.99 4.2 0.39 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.788 1.635 . . . . 25.0 115.044 -171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -138.62 34.0 2.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.388 0.675 . . . . 25.0 110.698 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.59 19.97 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.575 -1.268 . . . . 50.0 107.575 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 127.26 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.233 1.016 . . . . 25.0 112.988 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.2 tp -121.85 128.32 51.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -112.99 114.36 26.79 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.444 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.11 14.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -68.02 -25.74 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.953 -0.467 . . . . 25.0 110.535 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.58 -9.07 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.11 -12.43 41.15 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.596 -1.261 . . . . 25.0 107.596 170.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.68 -51.69 4.5 Favored Glycine 0 C--O 1.228 -0.241 0 N-CA-C 108.808 -1.717 . . . . 25.0 108.808 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 71.32 157.36 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.349 1.459 . . . . 25.0 109.071 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.1 p -119.65 -16.64 8.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 -172.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 176.05 14.25 Favored Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 108.146 -1.982 . . . . 25.0 108.146 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.59 29.64 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.074 0.937 . . . . 25.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.45 60.44 2.82 Favored Glycine 0 C--O 1.225 -0.423 0 N-CA-C 115.574 0.99 . . . . 25.0 115.574 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.02 27.11 14.35 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.0 84.72 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 168.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.97 168.22 12.6 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.831 0.816 . . . . 25.0 109.514 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.58 38.27 27.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.845 0.858 . . . . 25.0 109.719 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.0 16.37 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 115.284 0.874 . . . . 25.0 115.284 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -72.0 172.5 9.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.74 0.77 . . . . 25.0 110.626 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.05 169.44 8.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.02 152.92 39.26 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.513 -2.032 . . . . 25.0 105.513 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.02 140.12 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -148.33 148.88 30.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.94 128.8 63.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -121.05 125.9 48.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.34 -22.82 57.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -66.84 -26.87 67.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 109.939 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.42 -9.79 37.66 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.98 34.81 14.51 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.259 1.028 . . . . 25.0 110.435 -175.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -130.24 153.7 48.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.01 -0.996 . . . . 25.0 112.519 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -126.15 108.54 11.42 Favored 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 103.576 -2.749 . . . . 25.0 103.576 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -93.33 143.86 25.87 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 111.62 -2.536 . . . . 25.0 109.215 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -127.81 121.12 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.01 165.06 36.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 -177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 t -115.26 151.12 35.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 103.314 -2.847 . . . . 25.0 103.314 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.66 2.05 3.42 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.68 -33.35 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.437 0.637 . . . . 25.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.3 p -132.06 132.48 43.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -126.13 -75.51 0.59 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.06 -1.427 . . . . 25.0 110.17 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.02 55.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.9 mp0 -76.83 -22.27 53.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.213 -1.358 . . . . 25.0 110.958 -176.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.2 79.24 0.08 OUTLIER Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.479 -1.448 . . . . 25.0 109.479 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 120.38 11.79 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 122.528 1.156 . . . . 25.0 109.602 -175.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.31 165.91 11.97 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.203 -1.817 . . . . 25.0 109.91 -167.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 51.6 p90 -90.3 152.99 20.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -146.75 140.99 26.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.98 161.84 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.8 t -138.39 143.51 39.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.03 126.8 29.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -78.45 112.3 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.24 174.85 21.81 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 106.97 -2.452 . . . . 25.0 106.97 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.6 m120 -118.17 30.12 7.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 17.78 0.06 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.08 -30.38 65.07 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.864 -1.902 . . . . 25.0 105.864 169.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.05 59.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.36 -0.836 . . . . 25.0 109.477 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.86 3.4 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.986 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.2 116.64 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -158.42 165.65 34.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.56 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.269 0.557 . . . . 25.0 110.724 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.88 -33.52 70.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.005 -0.434 . . . . 25.0 110.023 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.61 -41.09 47.36 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.39 124.62 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.613 -0.679 . . . . 25.0 112.504 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.4 tp -95.97 132.38 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -146.15 168.13 21.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.41 29.82 2.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.562 0.696 . . . . 25.0 110.251 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.686 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.235 0.355 0 N-CA-C 114.856 1.06 . . . . 25.0 114.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -81.99 132.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.62 114.6 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-O 123.214 1.483 . . . . 25.0 108.084 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -136.43 2.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 112.653 -2.067 . . . . 25.0 110.554 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -127.0 168.13 14.97 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.275 -0.544 . . . . 25.0 110.694 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.47 2.75 49.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.464 0.65 . . . . 25.0 109.556 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.13 174.66 11.38 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -67.78 111.21 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.64 126.04 39.68 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.148 -1.056 . . . . 50.0 108.148 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.24 95.05 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 164.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.91 153.88 50.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -173.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -128.62 149.38 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.891 0.853 . . . . 25.0 112.119 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -104.88 -39.56 2.31 Favored Glycine 0 CA--C 1.496 -1.14 0 CA-C-N 113.975 -1.466 . . . . 25.0 111.583 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.2 p 45.94 -144.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.686 -1.257 . . . . 25.0 111.212 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.56 -10.17 7.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.795 2.146 . . . . 25.0 116.795 -170.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 137.98 58.02 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 174.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.64 44.54 3.37 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.143 -1.183 . . . . 25.0 110.143 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -150.53 157.19 42.71 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 104.193 -2.521 . . . . 25.0 104.193 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -140.81 -179.62 6.16 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 123.148 0.28 . . . . 50.0 111.557 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.509 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -117.61 138.96 46.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 122.977 0.511 . . . . 25.0 111.078 -167.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.4 t -114.15 148.64 36.89 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.8 72.98 0.1 OUTLIER Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.102 -1.047 . . . . 25.0 112.259 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.05 0.04 OUTLIER Glycine 0 C--O 1.238 0.352 0 N-CA-C 119.514 2.566 . . . . 25.0 119.514 -168.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.5 -177.06 12.51 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-O 122.814 1.23 . . . . 25.0 113.939 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 165.23 5.05 Favored Glycine 0 C--N 1.309 -0.93 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.19 81.74 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -79.18 152.16 30.86 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -128.68 104.12 7.47 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 104.948 -2.242 . . . . 25.0 104.948 171.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -125.65 119.82 29.07 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -109.98 136.81 48.66 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -6.15 2.85 Favored Glycine 0 C--O 1.208 -1.485 0 N-CA-C 115.448 0.939 . . . . 25.0 115.448 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 18.88 -96.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 118.263 2.69 . . . . 25.0 118.263 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.13 166.46 54.39 Favored Glycine 0 C--O 1.254 1.395 0 CA-C-O 122.531 1.073 . . . . 25.0 115.626 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.86 167.26 34.78 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.687 -0.965 . . . . 25.0 110.687 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.43 133.94 13.96 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 106.934 -2.466 . . . . 25.0 106.934 171.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.76 155.11 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.24 0.52 . . . . 50.0 111.051 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.78 99.73 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.68 134.29 53.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.81 116.74 20.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.341 -1.725 . . . . 25.0 106.341 172.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.65 -17.69 65.45 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 116.435 1.334 . . . . 25.0 116.435 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.44 -156.87 41.77 Favored Glycine 0 N--CA 1.425 -2.054 0 CA-C-O 125.446 2.692 . . . . 25.0 113.358 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 148.1 34.35 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.368 -3.416 . . . . 25.0 112.202 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -173.31 30.28 Favored Glycine 0 C--N 1.313 -0.718 0 CA-C-N 113.458 -1.701 . . . . 25.0 115.217 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -98.33 105.73 17.91 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.6 151.9 29.53 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.63 108.74 15.81 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 106.768 -1.567 . . . . 25.0 106.768 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -119.89 104.52 10.25 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 119.698 -0.191 . . . . 25.0 111.376 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.43 141.07 35.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.314 -0.866 . . . . 25.0 110.419 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -7.6 2.3 Favored Glycine 0 N--CA 1.462 0.418 0 N-CA-C 117.313 1.685 . . . . 25.0 117.313 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.15 -126.95 2.07 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-O 125.418 2.676 . . . . 25.0 118.514 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.2 144.7 49.47 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 109.492 -3.354 . . . . 25.0 111.523 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.31 161.35 36.56 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.44 0.936 . . . . 25.0 115.44 174.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.67 66.54 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -67.75 153.87 42.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.114 -1.403 . . . . 50.0 109.507 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.9 m -112.47 104.86 12.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -98.47 122.91 42.25 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.677 -3.083 . . . . 25.0 102.677 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -123.18 143.99 49.65 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.844 0.831 . . . . 25.0 111.975 -166.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.83 99.27 6.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.576 -1.193 . . . . 25.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.13 3.19 43.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 95.29 9.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.276 -1.329 . . . . 25.0 110.534 -175.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.79 -72.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.064 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -70.52 -19.08 62.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.891 1.329 . . . . 25.0 107.879 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -74.74 -10.32 59.4 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 113.822 -1.536 . . . . 25.0 111.922 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -130.75 36.56 3.89 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.632 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -102.05 164.8 11.51 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.57 155.0 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.87 168.21 25.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.713 -1.958 . . . . 25.0 105.713 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.51 66.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.62 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.57 0.7 . . . . 25.0 112.123 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.65 152.0 5.54 Favored Glycine 0 C--N 1.316 -0.571 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.468 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.7 p -118.79 143.03 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -125.89 92.46 3.6 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 103.75 -2.685 . . . . 25.0 103.75 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 p -125.36 177.9 5.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.347 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.68 111.84 17.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.84 105.27 17.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.62 121.32 37.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.6 mt -101.53 159.81 14.97 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.397 -0.223 . . . . 25.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.32 79.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 123.079 1.419 . . . . 25.0 114.423 -177.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.38 41.33 0.88 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 -169.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -140.78 72.23 29.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 117.749 2.5 . . . . 25.0 117.749 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.68 22.09 0.95 Allowed 'Trans proline' 0 CA--C 1.541 0.835 0 N-CA-C 110.22 -0.723 . . . . 25.0 110.22 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p 59.94 5.09 0.68 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.915 1.686 . . . . 25.0 114.549 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -144.63 53.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 155.9 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.465 -2.05 . . . . 50.0 105.465 173.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.04 128.58 55.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.326 1.06 . . . . 25.0 113.288 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.7 tp -119.06 131.79 55.98 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -120.31 119.13 32.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.283 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.26 14.25 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.9 -24.89 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.136 -0.353 . . . . 25.0 111.853 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.1 62.16 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.548 0.203 . . . . 25.0 111.548 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.2 mt -93.18 -9.2 40.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.87 -49.74 4.18 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 114.459 -1.246 . . . . 25.0 110.178 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 68.42 169.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.965 1.306 . . . . 25.0 109.739 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.0 p -124.88 -51.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.92 178.91 38.59 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 107.927 -2.069 . . . . 25.0 107.927 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.54 24.75 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.092 0.946 . . . . 25.0 109.006 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.25 64.14 2.08 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 61.56 22.76 13.16 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.38 10.5 82.01 Favored Glycine 0 C--N 1.323 -0.141 0 N-CA-C 118.061 1.984 . . . . 25.0 118.061 166.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -123.5 168.09 13.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.853 0.827 . . . . 25.0 109.821 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 38.28 29.29 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.808 0.843 . . . . 25.0 109.948 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.78 -8.12 45.33 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 p -77.46 171.82 14.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.078 0.939 . . . . 25.0 110.199 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.65 171.74 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.62 152.79 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.759 -1.941 . . . . 25.0 105.759 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -114.32 142.69 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -143.67 148.51 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.82 -1.918 . . . . 25.0 105.82 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.77 131.8 62.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.15 39.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -77.43 -29.08 52.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 25.0 110.96 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.06 -26.79 66.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.416 0.627 . . . . 25.0 109.798 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.72 -9.13 53.41 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.8 33.45 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.12 0.962 . . . . 25.0 111.527 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -132.1 155.54 47.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.677 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.2 t -127.91 108.6 10.83 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 103.737 -2.69 . . . . 25.0 103.737 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.59 142.66 27.09 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 111.848 -2.433 . . . . 25.0 109.168 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -130.28 125.9 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -158.0 165.34 35.35 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.4 t -115.38 151.28 34.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.227 -3.249 . . . . 25.0 102.227 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.78 5.71 2.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 113.742 1.015 . . . . 25.0 113.742 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -65.3 -32.84 74.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.607 0.718 . . . . 25.0 111.107 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.1 p -134.86 138.69 44.41 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -125.4 -73.65 0.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.715 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -81.83 -29.02 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.2 mp0 -77.2 -23.78 51.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.849 -175.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.15 79.46 0.1 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.766 -2.134 . . . . 25.0 107.766 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 115.9 5.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.841 1.305 . . . . 25.0 109.617 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.34 166.1 11.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 111.757 -2.474 . . . . 25.0 110.727 -162.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -76.31 152.37 36.43 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.01 130.15 18.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.5 164.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.76 147.41 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.03 132.33 39.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -80.7 113.81 19.15 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.6 179.54 21.94 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 106.839 -2.504 . . . . 25.0 106.839 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.444 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.5 m120 -119.56 32.3 6.15 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 17.11 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.87 -30.42 65.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.05 -1.833 . . . . 25.0 106.05 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.28 -11.06 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.459 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.23 41.71 3.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.053 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.6 113.48 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -156.96 166.51 33.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.15 70.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.173 0.511 . . . . 25.0 110.743 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.22 -33.11 71.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.159 -0.338 . . . . 25.0 110.212 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.51 -41.22 40.08 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.1 mt -128.5 122.32 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.817 -0.552 . . . . 25.0 112.346 -175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.3 tp -94.98 131.94 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.428 -0.952 . . . . 25.0 108.428 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.95 168.17 20.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.94 30.69 3.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.424 0.63 . . . . 25.0 111.439 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 N-CA-C 107.27 -1.382 . . . . 25.0 107.27 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo . . . . . 0 C--O 1.236 0.384 0 N-CA-C 113.729 0.627 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.15 129.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.01 114.23 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-O 123.099 1.428 . . . . 25.0 108.214 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.29 -137.71 2.24 Favored Glycine 0 C--N 1.314 -0.651 0 CA-C-N 112.834 -1.985 . . . . 25.0 110.739 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -122.0 170.27 9.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.146 0.498 . . . . 25.0 111.021 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.44 2.63 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.551 0.691 . . . . 25.0 109.367 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.21 175.59 10.17 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.47 111.61 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.919 -1.512 . . . . 25.0 106.919 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -95.93 126.81 41.44 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.06 95.19 4.88 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.45 154.01 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -173.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -128.64 148.14 50.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.907 0.861 . . . . 25.0 112.273 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.11 -41.71 1.76 Allowed Glycine 0 CA--C 1.497 -1.068 0 CA-C-N 113.835 -1.53 . . . . 25.0 111.1 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.2 p 44.82 -143.64 0.18 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.888 -1.156 . . . . 25.0 111.036 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.18 -9.82 5.48 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.811 2.152 . . . . 25.0 116.811 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 137.9 58.12 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 46.21 3.64 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 110.379 -1.088 . . . . 25.0 110.379 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.0 159.19 44.73 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 104.068 -2.568 . . . . 25.0 104.068 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -140.8 -179.48 6.08 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.145 0.424 . . . . 50.0 112.145 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.4 mp -121.59 140.13 46.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 123.045 0.538 . . . . 25.0 110.672 -168.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -118.61 159.24 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.51 79.07 0.06 OUTLIER Glycine 0 N--CA 1.462 0.433 0 C-N-CA 120.029 -1.081 . . . . 25.0 112.55 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.52 -80.82 0.01 OUTLIER Glycine 0 C--O 1.239 0.466 0 N-CA-C 119.083 2.393 . . . . 25.0 119.083 -167.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.28 -175.84 10.23 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-O 122.895 1.275 . . . . 25.0 113.442 -175.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.71 164.8 5.54 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 116.54 1.376 . . . . 25.0 116.54 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.3 81.97 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.64 152.47 29.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -170.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -128.04 103.98 7.53 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.39 118.1 25.94 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.306 -2.109 . . . . 25.0 105.306 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -106.16 136.04 46.56 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.739 -1.948 . . . . 25.0 105.739 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.81 -10.97 1.31 Allowed Glycine 0 C--O 1.21 -1.394 0 C-N-CA 120.221 -0.99 . . . . 25.0 115.369 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 18.78 -95.67 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.543 2.794 . . . . 25.0 118.543 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.75 54.92 Favored Glycine 0 C--O 1.251 1.215 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.49 167.23 33.87 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 110.936 -0.866 . . . . 25.0 110.936 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.83 131.85 11.39 Favored Glycine 0 C--N 1.315 -0.606 0 N-CA-C 107.045 -2.422 . . . . 25.0 107.045 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -127.68 154.58 45.13 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.151 0.476 . . . . 50.0 110.994 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.6 mt -139.28 101.47 4.26 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.43 131.44 53.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -170.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.69 114.14 18.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 171.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.5 -16.77 77.26 Favored Glycine 0 C--O 1.238 0.385 0 N-CA-C 116.214 1.246 . . . . 25.0 116.214 -174.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 70.67 -171.88 43.7 Favored Glycine 0 N--CA 1.422 -2.266 0 CA-C-O 124.437 2.132 . . . . 25.0 111.796 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.1 19.72 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 110.914 -2.643 . . . . 25.0 111.894 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -174.8 21.72 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 113.507 -1.679 . . . . 25.0 115.713 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -98.89 106.68 18.97 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 103.631 -2.729 . . . . 25.0 103.631 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.32 155.49 29.46 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -118.29 109.31 16.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.46 102.21 8.3 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -171.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.79 145.52 25.76 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.171 -0.956 . . . . 25.0 111.325 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.58 0.34 1.23 Allowed Glycine 0 N--CA 1.462 0.404 0 N-CA-C 117.719 1.848 . . . . 25.0 117.719 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 26.43 -123.66 0.05 OUTLIER Glycine 0 CA--C 1.507 -0.44 0 N-CA-C 120.253 2.861 . . . . 25.0 120.253 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -57.22 144.0 37.02 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 110.63 -2.785 . . . . 25.0 111.7 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.82 34.6 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 115.304 0.882 . . . . 25.0 115.304 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.64 66.31 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -68.7 155.28 40.38 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.286 -1.325 . . . . 50.0 109.227 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -114.2 96.34 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.65 0.738 . . . . 25.0 109.121 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -87.77 130.49 34.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 102.506 -3.146 . . . . 25.0 102.506 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -129.92 144.5 51.35 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.943 0.878 . . . . 25.0 113.149 -165.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.18 104.77 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.282 -1.327 . . . . 25.0 113.557 -170.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.47 13.5 34.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 102.663 -3.088 . . . . 25.0 102.663 160.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.7 mt -87.82 69.09 9.5 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 113.364 -1.744 . . . . 25.0 113.435 -168.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -76.27 -68.07 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.812 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -70.47 -24.42 62.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.202 1.001 . . . . 25.0 109.167 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.38 -9.57 58.68 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 114.922 -1.035 . . . . 25.0 111.715 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -140.71 48.2 1.73 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.819 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 24.9 pt20 -102.46 161.53 13.64 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -173.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 155.02 51.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.44 168.29 24.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.41 66.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -5.65 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 25.0 112.069 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.52 150.54 5.22 Favored Glycine 0 C--N 1.316 -0.569 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.612 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -118.35 141.31 48.66 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -125.57 92.57 3.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.658 -2.349 . . . . 25.0 104.658 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -127.72 161.58 28.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.126 0.488 . . . . 25.0 111.991 -170.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -95.7 115.64 27.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.655 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.2 105.72 17.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -83.36 124.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.47 159.48 15.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.302 -0.258 . . . . 25.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.19 80.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.996 1.379 . . . . 25.0 114.625 -177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.74 40.11 0.81 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 -170.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -141.13 71.95 27.55 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 117.756 2.502 . . . . 25.0 117.756 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.19 22.08 0.97 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 N-CA-C 110.306 -0.69 . . . . 25.0 110.306 164.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.2 5.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.728 1.611 . . . . 25.0 114.588 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -137.29 29.2 2.74 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.274 0.63 . . . . 25.0 110.662 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 156.76 19.31 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.262 -1.384 . . . . 50.0 107.262 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.4 130.16 55.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.231 1.015 . . . . 25.0 112.537 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -121.43 129.74 53.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.27 119.02 35.58 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -126.91 16.13 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -67.94 -26.36 65.92 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.959 -0.463 . . . . 25.0 111.023 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.79 -8.5 58.09 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.0 mt -89.5 -13.44 37.46 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.78 4.47 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 109.22 -1.552 . . . . 25.0 109.22 -172.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 69.58 159.36 0.18 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.222 1.409 . . . . 25.0 109.351 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.5 p -119.64 -18.83 8.28 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.68 -177.54 17.23 Favored Glycine 0 CA--C 1.506 -0.517 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 tp -119.65 129.2 54.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.86 44.03 0.21 Allowed Glycine 0 C--O 1.222 -0.612 0 N-CA-C 110.839 -0.905 . . . . 25.0 110.839 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 58.33 27.19 14.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.59 80.15 Favored Glycine 0 CA--C 1.512 -0.11 0 N-CA-C 117.257 1.663 . . . . 25.0 117.257 169.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -126.8 170.25 12.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.879 0.84 . . . . 25.0 109.701 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.79 37.77 27.16 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.834 0.854 . . . . 25.0 109.489 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.26 -22.8 3.56 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 115.468 0.947 . . . . 25.0 115.468 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.0 p -68.71 173.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.461 0.63 . . . . 25.0 111.883 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 169.77 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.741 0.782 . . . . 25.0 110.261 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.45 152.99 38.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.61 144.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.8 p -144.97 158.06 43.93 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.1 134.44 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.97 122.32 39.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.101 -2.185 . . . . 25.0 105.101 176.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -79.76 -26.24 40.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.877 0.37 . . . . 25.0 111.97 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -68.29 -26.45 65.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.696 0.76 . . . . 25.0 109.57 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.17 -8.56 50.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.628 -0.989 . . . . 25.0 110.628 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.77 33.93 9.27 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.178 0.991 . . . . 25.0 111.557 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -129.23 155.65 45.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.423 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -131.21 114.14 14.7 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.55 146.03 26.86 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 111.494 -2.594 . . . . 25.0 109.849 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.29 126.77 32.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -157.9 170.5 22.18 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.8 t -124.24 147.18 48.26 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.16 -2.904 . . . . 25.0 103.16 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.4 9.43 2.7 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.01 -30.35 71.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.618 0.723 . . . . 25.0 110.383 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -131.77 139.31 48.9 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.88 -66.19 1.08 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.794 -1.094 . . . . 25.0 111.802 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 -31.14 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.979 0.895 . . . . 25.0 108.671 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 14.3 mp0 -72.34 -29.51 63.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.391 -1.277 . . . . 25.0 110.328 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.14 69.94 0.28 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.441 -1.863 . . . . 25.0 108.441 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 118.48 8.74 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 122.674 1.226 . . . . 25.0 109.806 -176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -98.57 165.62 11.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 112.859 -1.973 . . . . 25.0 109.79 -168.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 40.2 p90 -84.61 153.53 23.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.426 -0.806 . . . . 25.0 109.796 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -139.51 135.23 33.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.8 m -136.32 163.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.4 t -144.17 146.94 33.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.94 134.41 38.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -81.16 111.89 18.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.35 179.61 25.36 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 107.017 -2.433 . . . . 25.0 107.017 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.6 m120 -120.49 27.79 8.37 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 15.9 0.06 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.58 -29.88 63.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.208 -1.775 . . . . 25.0 106.208 169.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.25 -10.33 59.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.151 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.64 37.84 3.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.857 -0.61 . . . . 25.0 109.538 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.6 113.26 9.45 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.0 p -158.34 165.06 35.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.09 67.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.197 0.522 . . . . 25.0 110.858 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -73.47 -34.43 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.044 -0.41 . . . . 25.0 110.588 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.34 -38.97 49.17 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.291 0.496 . . . . 25.0 112.072 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.6 mt -128.68 125.22 63.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.997 -0.439 . . . . 25.0 111.845 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.3 tp -93.8 130.2 39.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.097 -1.446 . . . . 25.0 107.097 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -145.99 169.07 19.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.42 29.21 3.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.674 0.749 . . . . 25.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.04 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 32.3 Cg_exo . . . . . 0 N--CA 1.459 -0.515 0 N-CA-C 115.533 1.32 . . . . 25.0 115.533 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 mt -82.29 131.64 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.164 -1.791 . . . . 25.0 106.164 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -86.18 111.66 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 122.727 1.251 . . . . 25.0 107.861 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.77 -137.69 3.38 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 113.457 -1.701 . . . . 25.0 111.255 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -125.36 170.22 11.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.258 0.551 . . . . 25.0 111.092 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -88.78 3.73 50.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 25.0 109.544 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.97 173.31 12.72 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.5 101.42 1.59 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -86.77 120.0 27.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.7 95.77 5.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 104.732 -2.322 . . . . 25.0 104.732 165.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.3 mt -138.58 153.93 48.69 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.14 148.76 50.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.769 0.795 . . . . 25.0 112.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.1 -40.2 2.15 Favored Glycine 0 C--O 1.225 -0.438 0 CA-C-N 113.759 -1.564 . . . . 25.0 110.651 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p 46.97 -148.53 0.14 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.089 -1.055 . . . . 25.0 111.76 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.58 -12.79 7.26 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -170.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 140.83 58.01 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 53.11 4.67 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 108.962 -1.655 . . . . 25.0 108.962 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.47 144.83 24.78 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 105.597 -2.001 . . . . 25.0 105.597 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' PRO 0.311 3.0 tp10 -140.97 156.18 46.1 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 124.952 1.407 . . . . 75.0 113.764 -175.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 64.2 mt -110.15 137.01 44.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 C-N-CA 123.888 0.875 . . . . 25.0 109.863 -162.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 t -114.04 154.79 27.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.62 78.08 0.07 OUTLIER Glycine 0 C--N 1.321 -0.292 0 C-N-CA 119.943 -1.122 . . . . 25.0 112.857 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -77.1 0.02 OUTLIER Glycine 0 C--O 1.238 0.372 0 N-CA-C 119.59 2.596 . . . . 25.0 119.59 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -177.27 14.03 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-O 122.745 1.191 . . . . 25.0 113.784 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.01 164.0 5.47 Favored Glycine 0 C--N 1.31 -0.894 0 N-CA-C 116.517 1.367 . . . . 25.0 116.517 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.02 81.48 5.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.62 152.02 34.08 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -129.1 104.18 7.41 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -125.22 121.42 34.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.8 136.14 49.59 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.33 -9.68 2.05 Favored Glycine 0 C--O 1.211 -1.328 0 C-N-CA 120.195 -1.002 . . . . 25.0 115.492 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 19.9 -97.57 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 119.597 3.184 . . . . 25.0 119.597 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.52 169.48 54.36 Favored Glycine 0 N--CA 1.462 0.421 0 O-C-N 121.01 -1.056 . . . . 25.0 115.547 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.09 162.66 20.06 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-O 121.499 0.499 . . . . 25.0 112.209 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.67 131.97 11.97 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.43 155.21 45.13 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 117.687 0.744 . . . . 50.0 110.127 -167.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.405 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 12.3 mt -140.92 101.89 4.15 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.63 135.34 53.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.475 0.655 . . . . 25.0 112.409 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.7 116.75 20.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.477 -1.238 . . . . 25.0 107.723 172.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.72 -19.1 62.3 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 116.651 1.421 . . . . 25.0 116.651 -173.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.02 -158.45 41.45 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-O 125.284 2.602 . . . . 25.0 113.139 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 149.51 30.94 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 109.554 -3.323 . . . . 25.0 111.993 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.87 30.36 Favored Glycine 0 C--N 1.314 -0.67 0 CA-C-N 113.443 -1.708 . . . . 25.0 115.059 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -99.33 104.81 16.74 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.52 152.91 26.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.901 1.074 . . . . 50.0 113.901 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -119.62 109.77 16.06 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 106.992 -1.484 . . . . 25.0 106.992 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.9 mt -121.7 101.45 7.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.193 -0.942 . . . . 25.0 110.404 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.89 -7.81 1.75 Allowed Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.665 1.426 . . . . 25.0 116.665 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.93 -128.87 1.12 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-O 125.5 2.722 . . . . 25.0 119.225 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.53 141.97 45.98 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 109.425 -3.388 . . . . 25.0 111.992 -176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.41 160.7 34.5 Favored Glycine 0 C--O 1.245 0.792 0 N-CA-C 115.592 0.997 . . . . 25.0 115.592 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.61 66.0 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.7 154.94 41.01 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.237 -1.347 . . . . 50.0 109.504 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.1 m -112.19 105.96 14.43 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -99.81 123.38 44.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 102.235 -3.246 . . . . 25.0 102.235 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -125.32 144.77 50.33 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.932 0.872 . . . . 25.0 111.869 -164.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -120.19 102.04 8.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.926 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.81 1.84 37.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 91.43 8.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.212 -1.358 . . . . 25.0 110.739 -175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -85.75 -71.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.337 0.866 . . . . 25.0 113.337 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -69.98 -19.77 63.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.406 1.098 . . . . 25.0 108.161 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -74.46 -8.32 55.9 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.919 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -133.61 36.84 3.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.155 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -102.61 166.64 10.4 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 154.16 48.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.208 1.188 . . . . 25.0 114.208 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.8 p -150.78 170.68 18.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.78 65.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.62 -6.79 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.675 0.75 . . . . 25.0 111.939 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.22 150.66 5.26 Favored Glycine 0 C--N 1.315 -0.616 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.887 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -118.45 141.11 48.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -125.77 92.49 3.61 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 103.219 -2.882 . . . . 25.0 103.219 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -124.98 177.97 5.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.416 -169.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.65 112.18 18.11 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mp -95.47 104.19 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -83.67 126.28 40.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -101.83 165.77 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 23.15 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.733 2.123 . . . . 25.0 116.733 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.25 39.91 1.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.679 -1.601 . . . . 25.0 114.746 -170.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -139.53 70.95 38.39 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.81 22.33 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.925 0 N-CA-C 110.082 -0.776 . . . . 25.0 110.082 164.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.34 7.44 0.93 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.639 1.576 . . . . 25.0 114.422 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -146.25 54.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.19 22.34 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -111.2 123.53 50.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.2 tp -112.58 125.08 53.88 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -115.53 116.49 28.26 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.585 -0.279 . . . . 25.0 110.366 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.38 15.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.081 -0.387 . . . . 25.0 111.821 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.46 -13.61 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 122.261 -0.275 . . . . 25.0 111.719 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -89.65 -13.09 37.79 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.64 -50.34 4.31 Favored Glycine 0 C--O 1.236 0.241 0 N-CA-C 109.581 -1.408 . . . . 25.0 109.581 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 67.18 171.13 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.893 1.277 . . . . 25.0 108.241 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.86 -33.44 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 178.67 17.13 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 107.683 -2.167 . . . . 25.0 107.683 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.72 40.78 3.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.297 1.048 . . . . 25.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.92 4.4 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.496 -0.774 . . . . 25.0 114.735 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 58.55 27.98 16.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.81 84.71 Favored Glycine 0 N--CA 1.457 0.093 0 N-CA-C 117.624 1.81 . . . . 25.0 117.624 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -127.18 171.14 11.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.745 0.772 . . . . 25.0 109.514 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 37.6 28.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.784 0.834 . . . . 25.0 109.727 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.17 -9.45 32.9 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.294 0.878 . . . . 25.0 115.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -78.92 171.63 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.766 0.783 . . . . 25.0 110.62 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.05 171.78 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.92 152.87 48.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 p -109.46 145.65 15.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.6 t -143.52 149.45 37.48 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.78 136.53 53.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.2 p -120.88 122.01 39.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.923 -1.88 . . . . 25.0 105.923 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.16 -31.86 49.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.169 0.509 . . . . 25.0 110.665 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -69.74 -26.32 64.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.672 0.749 . . . . 25.0 109.546 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.55 -8.84 59.37 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.293 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.13 30.9 5.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.154 0.981 . . . . 25.0 112.594 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -132.69 158.75 41.54 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -134.69 116.34 14.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 102.563 -3.125 . . . . 25.0 102.563 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.49 149.34 24.94 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 112.226 -2.261 . . . . 25.0 109.775 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.78 127.69 42.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -157.62 168.97 25.75 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.9 t -119.68 154.27 34.32 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 102.905 -2.998 . . . . 25.0 102.905 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.04 2.48 2.35 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.6 -33.34 75.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.689 0.757 . . . . 25.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 44.2 p -133.39 138.6 46.36 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -122.71 -67.99 0.92 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.239 -1.346 . . . . 25.0 111.651 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.7 -29.66 16.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 15.7 mp0 -73.58 -26.56 60.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.208 -1.36 . . . . 25.0 110.094 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.75 73.44 0.22 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 108.25 -1.94 . . . . 25.0 108.25 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 125.6 24.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -119.79 165.99 13.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.67 -1.604 . . . . 25.0 110.011 -162.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.94 152.63 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.037 0.446 . . . . 25.0 112.176 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.03 127.74 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.49 161.84 36.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.5 t -144.37 148.1 34.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -136.29 132.87 36.3 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -80.09 113.52 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.97 179.54 19.75 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 106.62 -2.592 . . . . 25.0 106.62 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 145' ' ' ALA . 2.9 m120 -120.56 32.23 6.09 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 -177.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 14.15 0.08 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.521 1.304 . . . . 25.0 114.521 -175.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -73.28 -28.91 62.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 170.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.05 -11.24 60.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.591 -0.731 . . . . 25.0 109.033 174.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.01 37.28 3.71 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.536 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.93 115.97 10.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.7 p -160.1 164.68 32.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.51 69.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.058 0.456 . . . . 25.0 110.612 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.59 -33.29 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.22 -0.3 . . . . 25.0 110.297 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.98 -40.21 39.98 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.0 mt -128.84 124.44 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.05 131.69 44.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -140.99 168.69 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.92 31.27 3.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.387 0.613 . . . . 25.0 111.505 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.234 0.288 0 N-CA-C 115.335 1.244 . . . . 25.0 115.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.16 129.63 37.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.19 115.97 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 123.066 1.412 . . . . 25.0 107.829 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -138.06 2.96 Favored Glycine 0 C--N 1.313 -0.747 0 CA-C-N 112.791 -2.004 . . . . 25.0 110.577 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -122.57 166.68 14.43 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.463 -0.433 . . . . 25.0 110.518 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -86.05 2.19 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.416 0.627 . . . . 25.0 109.68 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.0 176.47 9.8 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.37 110.72 4.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.746 -1.575 . . . . 25.0 106.746 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -88.62 124.06 33.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.269 -1.011 . . . . 50.0 108.269 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -110.63 95.34 5.5 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.766 -3.05 . . . . 25.0 102.766 166.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.07 153.68 45.59 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -129.85 150.32 51.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.894 0.854 . . . . 25.0 111.393 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.69 -38.04 2.46 Favored Glycine 0 CA--C 1.496 -1.141 0 CA-C-N 114.106 -1.406 . . . . 25.0 111.593 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 p 47.27 -147.46 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.932 -1.134 . . . . 25.0 111.727 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.26 -10.7 7.33 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 116.493 2.034 . . . . 25.0 116.493 -170.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 140.06 57.17 Favored 'General case' 0 C--O 1.247 0.952 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.44 41.74 3.09 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -144.59 148.99 35.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.282 3.5 tp10 -140.74 154.06 46.16 Favored 'General case' 0 C--O 1.211 -0.927 0 C-N-CA 123.997 0.919 . . . . 75.0 113.453 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -96.54 139.11 20.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 113.859 -1.519 . . . . 25.0 111.125 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -115.82 149.05 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.4 76.32 0.09 OUTLIER Glycine 0 N--CA 1.463 0.495 0 C-N-CA 119.994 -1.098 . . . . 25.0 112.471 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.91 -78.06 0.02 OUTLIER Glycine 0 C--O 1.238 0.355 0 N-CA-C 119.327 2.491 . . . . 25.0 119.327 -167.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.34 -175.67 10.13 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-O 122.759 1.199 . . . . 25.0 113.602 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.52 165.96 4.86 Favored Glycine 0 C--N 1.31 -0.865 0 N-CA-C 116.78 1.472 . . . . 25.0 116.78 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.24 81.96 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.56 152.28 30.2 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.9 104.2 7.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -127.05 120.66 29.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 106.234 -1.765 . . . . 25.0 106.234 -170.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.35 136.31 50.65 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 106.349 -1.723 . . . . 25.0 106.349 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.68 -3.96 6.35 Favored Glycine 0 C--O 1.211 -1.315 0 CA-C-O 119.003 -0.887 . . . . 25.0 115.134 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 19.53 -99.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.642 2.46 . . . . 25.0 117.642 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.09 167.32 54.28 Favored Glycine 0 C--O 1.255 1.445 0 CA-C-O 122.605 1.114 . . . . 25.0 115.446 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.2 167.42 35.9 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.011 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.92 136.48 19.83 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 106.416 -2.673 . . . . 25.0 106.416 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -127.96 155.14 44.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.393 0.596 . . . . 50.0 109.934 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 48.4 mt -140.61 98.26 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.24 135.37 55.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 25.0 111.652 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 113.28 14.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.27 -1.752 . . . . 25.0 106.27 171.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.42 -19.53 76.28 Favored Glycine 0 C--O 1.236 0.255 0 N-CA-C 116.221 1.249 . . . . 25.0 116.221 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.86 -169.35 52.7 Favored Glycine 0 N--CA 1.421 -2.31 0 CA-C-O 124.834 2.352 . . . . 25.0 112.279 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.59 148.41 24.23 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 110.38 -2.91 . . . . 25.0 111.026 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.53 -176.19 27.39 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 113.586 -1.643 . . . . 25.0 114.524 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -97.38 104.29 16.3 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -111.88 154.81 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -118.23 107.26 13.7 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.2 102.0 8.65 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 111.476 0.176 . . . . 25.0 111.476 -172.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.4 137.53 38.7 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.409 -0.807 . . . . 25.0 109.774 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.02 -16.35 3.28 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.65 -130.76 35.21 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 125.857 2.92 . . . . 25.0 116.723 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.15 146.36 50.8 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 108.775 -3.712 . . . . 25.0 110.858 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.22 160.89 36.97 Favored Glycine 0 C--O 1.244 0.763 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.43 67.58 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.79 153.25 42.36 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.799 -1.546 . . . . 50.0 108.951 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 m -115.08 102.26 9.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -95.12 128.49 42.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -127.25 142.22 51.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.949 0.88 . . . . 25.0 112.207 -165.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 67' ' ' LEU . 23.5 m-85 -122.26 101.32 7.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.35 -1.295 . . . . 25.0 112.762 -171.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.14 14.02 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 102.092 -3.299 . . . . 25.0 102.092 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 65' ' ' PHE . 61.8 mt -86.25 76.13 9.75 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 113.307 -1.77 . . . . 25.0 112.406 -170.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -77.86 -73.72 0.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.006 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.15 -19.46 62.42 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.352 1.073 . . . . 25.0 108.388 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -75.5 -11.94 60.13 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 114.729 -1.123 . . . . 25.0 111.765 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 45.78 2.4 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.121 0.486 . . . . 25.0 110.363 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -102.45 163.51 12.19 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.251 0.548 . . . . 25.0 112.473 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -140.18 153.31 46.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -178.061 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -150.9 168.32 24.87 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.5 66.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.25 -5.62 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 25.0 111.981 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.53 150.86 5.29 Favored Glycine 0 C--N 1.316 -0.562 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.165 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.8 p -117.84 140.9 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.78 92.3 3.57 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -125.78 178.59 5.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.323 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -117.21 111.21 19.13 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.71 105.15 17.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -86.88 120.77 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.62 160.69 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.35 -0.219 . . . . 25.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.25 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 123.4 1.572 . . . . 25.0 114.238 -177.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -149.05 36.32 0.76 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 113.264 -1.789 . . . . 25.0 114.875 -169.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.59 69.84 45.26 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 117.326 2.343 . . . . 25.0 117.326 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.66 21.89 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.818 0 N-CA-C 110.04 -0.792 . . . . 25.0 110.04 164.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p 58.76 8.29 0.91 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 25.0 114.233 -170.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -145.26 54.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.12 155.84 24.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 173.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -111.44 131.05 55.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.384 1.088 . . . . 25.0 113.523 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -121.92 132.82 54.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -119.06 118.76 32.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.624 -0.262 . . . . 25.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.7 13.49 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -68.85 -23.94 64.29 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.022 -0.424 . . . . 25.0 111.248 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.86 61.56 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.505 0.193 . . . . 25.0 111.455 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.78 -14.41 34.6 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.8 -50.92 4.48 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 t80 71.89 161.5 0.24 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.55 1.54 . . . . 25.0 109.089 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -117.09 -21.06 9.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.49 177.42 14.88 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.69 34.77 5.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.945 0.878 . . . . 25.0 110.904 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.35 57.44 3.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 59.36 27.02 16.01 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.759 1.763 . . . . 25.0 115.759 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.59 7.97 85.4 Favored Glycine 0 CA--C 1.513 -0.058 0 N-CA-C 117.768 1.867 . . . . 25.0 117.768 167.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -125.01 169.04 12.51 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.633 0.716 . . . . 25.0 109.512 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.99 37.87 26.72 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.915 0.886 . . . . 25.0 109.485 -173.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.05 -14.47 14.32 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.38 170.84 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.735 0.768 . . . . 25.0 110.603 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.18 171.82 7.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.45 152.77 45.96 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.37 142.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -145.12 145.23 31.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.6 128.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.8 p -120.94 125.23 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -75.36 -23.56 57.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.87 -26.76 66.18 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.68 0.752 . . . . 25.0 109.728 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.13 -10.05 46.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.289 -1.124 . . . . 25.0 110.289 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.08 32.17 9.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.152 0.981 . . . . 25.0 111.375 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -131.11 152.9 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.688 -0.687 . . . . 25.0 112.806 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -122.24 104.64 9.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -90.73 145.46 24.79 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 111.402 -2.635 . . . . 25.0 109.237 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.58 127.91 41.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -157.76 165.36 35.56 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.36 151.22 36.37 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.021 -3.326 . . . . 25.0 102.021 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.69 5.88 2.44 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 -176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.3 -33.49 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.536 0.684 . . . . 25.0 111.225 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.7 p -134.76 136.63 42.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 106.56 -1.644 . . . . 25.0 106.56 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -128.67 -73.37 0.58 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.124 -1.398 . . . . 25.0 110.346 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -29.02 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.3 mp0 -78.47 -22.93 46.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.275 -1.329 . . . . 25.0 111.203 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.04 81.25 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.527 -2.229 . . . . 25.0 107.527 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 118.63 8.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 123.205 1.478 . . . . 25.0 109.838 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -179.58 5.11 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 112.014 -2.357 . . . . 25.0 110.024 -164.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.3 156.3 17.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.54 132.2 19.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.8 m -138.7 163.51 27.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -148.18 146.53 28.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -132.05 133.68 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -79.18 116.04 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.03 179.61 19.17 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 106.687 -2.565 . . . . 25.0 106.687 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.424 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -120.7 32.36 6.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 16.47 0.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.09 -30.1 64.77 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.895 -1.891 . . . . 25.0 105.895 169.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.58 -8.54 57.02 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.417 -0.811 . . . . 25.0 109.418 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.25 39.84 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.117 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.3 117.77 17.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.8 p -158.82 164.59 35.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.81 68.42 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.162 0.506 . . . . 25.0 110.814 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.9 -32.6 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.094 -0.379 . . . . 25.0 110.257 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -41.0 42.59 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.216 0.462 . . . . 25.0 111.866 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.9 mt -128.34 124.96 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.98 -0.45 . . . . 25.0 112.119 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 52.5 tp -94.75 130.75 41.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -147.79 168.65 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.43 29.89 2.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.573 0.701 . . . . 25.0 110.861 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.983 0.326 . . . . 25.0 112.7 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -82.13 127.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.91 113.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.785 1.278 . . . . 25.0 108.524 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.44 -136.32 2.85 Favored Glycine 0 C--N 1.317 -0.501 0 CA-C-N 113.429 -1.714 . . . . 25.0 109.943 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -132.04 169.58 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.135 -0.626 . . . . 25.0 110.675 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -88.28 3.96 47.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 25.0 109.49 173.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.18 176.33 9.58 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.597 -1.26 . . . . 25.0 107.597 170.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.03 111.09 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.63 121.74 37.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -112.88 95.07 5.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -135.76 153.9 51.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -127.53 150.29 49.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.795 0.807 . . . . 25.0 111.147 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.89 -37.73 2.68 Favored Glycine 0 CA--C 1.504 -0.652 0 CA-C-N 114.109 -1.405 . . . . 25.0 110.909 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.6 p 47.51 -148.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.082 -1.059 . . . . 25.0 111.679 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.24 -12.66 14.01 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -171.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 139.38 58.16 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.12 38.67 3.19 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.237 -1.145 . . . . 25.0 110.237 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -140.22 139.75 35.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.416 -2.439 . . . . 25.0 104.416 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.7 tp10 -140.83 154.08 46.05 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.373 2.36 . . . . 75.0 117.373 -167.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.488 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.4 mp -88.32 138.06 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 113.187 -1.824 . . . . 25.0 114.026 -165.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -114.17 149.73 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.58 69.95 0.08 OUTLIER Glycine 0 N--CA 1.465 0.572 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -32.25 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.459 0.221 0 N-CA-C 120.144 2.817 . . . . 25.0 120.144 -169.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.18 -176.07 10.31 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-O 122.626 1.125 . . . . 25.0 114.748 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.22 171.15 9.24 Favored Glycine 0 C--N 1.314 -0.671 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 83.39 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -78.88 153.12 30.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -130.25 103.97 7.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 169.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.88 118.27 25.11 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.81 136.2 50.22 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.62 -3.48 8.5 Favored Glycine 0 C--O 1.214 -1.11 0 CA-C-O 119.232 -0.76 . . . . 25.0 114.813 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 21.39 -105.75 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 118.045 2.609 . . . . 25.0 118.045 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.37 52.58 Favored Glycine 0 C--O 1.24 0.481 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.82 172.14 35.56 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-O 122.5 1.056 . . . . 25.0 112.228 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 134.31 15.21 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 107.943 -2.063 . . . . 25.0 107.943 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -127.19 151.67 48.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.754 0.777 . . . . 50.0 109.279 -171.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 76.3 mt -132.17 98.03 4.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 140.72 50.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -145.51 165.7 27.84 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.59 29.09 1.05 Allowed Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.305 -0.95 . . . . 25.0 112.855 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 23.41 -128.7 0.02 OUTLIER Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 118.413 2.125 . . . . 25.0 118.413 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 145.18 56.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 112.154 -2.023 . . . . 25.0 113.545 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.0 -171.81 23.96 Favored Glycine 0 C--N 1.316 -0.566 0 CA-C-N 113.517 -1.674 . . . . 25.0 116.619 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -100.38 110.59 22.81 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 102.405 -3.183 . . . . 25.0 102.405 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.04 158.57 26.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.851 -1.068 . . . . 50.0 112.896 -170.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -120.25 105.86 11.35 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.368 -1.716 . . . . 25.0 106.368 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -124.55 120.14 31.1 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.37 139.36 52.9 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.17 0.441 . . . . 25.0 111.856 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.84 -20.38 4.16 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 115.821 1.088 . . . . 25.0 115.821 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.91 43.59 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-O 125.649 2.805 . . . . 25.0 116.475 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 145.59 53.49 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 109.156 -3.522 . . . . 25.0 110.314 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.73 164.2 40.1 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.411 0.924 . . . . 25.0 115.411 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.68 67.9 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.21 154.55 39.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.762 -1.563 . . . . 50.0 109.013 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.3 m -113.08 108.84 17.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 25.0 110.216 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -85.15 135.73 33.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.829 -1.915 . . . . 25.0 105.829 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -119.97 125.57 48.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.546 0.689 . . . . 25.0 110.732 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -121.68 97.58 5.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.51 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.97 14.36 28.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.847 -2.279 . . . . 25.0 104.847 166.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 87.7 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.44 -1.255 . . . . 25.0 111.979 -171.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -83.89 -61.81 1.73 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.96 0.409 . . . . 25.0 110.913 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -67.37 -26.99 66.74 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.418 1.104 . . . . 25.0 109.96 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.93 -6.29 48.43 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.506 -1.225 . . . . 25.0 111.4 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -140.03 47.91 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 21.7 pt20 -102.21 164.32 11.75 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 -171.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.71 151.86 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.189 -0.914 . . . . 25.0 111.616 -177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.8 p -150.68 170.88 18.13 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.9 67.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.1 50.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.14 161.92 8.92 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.514 -0.766 . . . . 25.0 114.236 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -118.69 138.36 52.68 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.859 0.362 . . . . 25.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.82 92.4 3.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.946 -2.242 . . . . 25.0 104.946 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.6 p -125.39 166.66 16.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.64 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -94.83 117.34 29.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.239 0.543 . . . . 50.0 109.688 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.54 106.7 18.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.55 115.99 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.04 157.42 16.88 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.604 0.362 . . . . 25.0 110.207 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.8 78.74 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 123.284 1.516 . . . . 25.0 114.383 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.33 38.33 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.408 -1.723 . . . . 25.0 115.503 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.0 69.96 49.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.25 20.99 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 N-CA-C 110.177 -0.74 . . . . 25.0 110.177 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 58.78 7.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.54 1.536 . . . . 25.0 114.601 -171.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.97 54.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.24 155.44 22.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.028 -1.842 . . . . 50.0 106.028 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -111.16 134.85 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.329 1.061 . . . . 25.0 113.696 -175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.6 tp -126.85 131.53 51.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.53 116.65 28.53 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.697 0.284 . . . . 25.0 110.649 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.15 9.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -71.82 -15.69 62.15 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.189 -0.319 . . . . 25.0 111.332 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.12 -23.85 66.57 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.912 0.387 . . . . 25.0 110.872 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.26 -2.91 26.41 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.83 -39.51 2.73 Favored Glycine 0 C--N 1.319 -0.413 0 CA-C-N 113.906 -1.497 . . . . 25.0 111.868 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.6 t80 69.66 163.98 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.313 1.445 . . . . 25.0 108.573 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 p -114.3 -27.66 7.53 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.51 173.14 13.22 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 107.92 -2.072 . . . . 25.0 107.92 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -121.41 32.47 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.352 1.076 . . . . 25.0 110.391 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.6 59.38 3.35 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 116.179 1.232 . . . . 25.0 116.179 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 60.67 25.69 15.45 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.98 81.85 Favored Glycine 0 CA--C 1.512 -0.155 0 N-CA-C 118.153 2.021 . . . . 25.0 118.153 165.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -125.42 167.93 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.765 0.782 . . . . 25.0 109.452 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.48 38.88 28.27 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 25.0 109.644 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.81 -15.41 15.04 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.387 -0.824 . . . . 25.0 115.125 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -73.04 171.86 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.722 0.761 . . . . 25.0 110.593 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.76 170.3 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.22 152.86 40.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.98 144.16 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -145.65 152.22 39.29 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.21 133.31 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.19 40.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -79.34 -26.94 42.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.161 0.505 . . . . 25.0 111.097 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.59 -26.4 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 25.0 109.504 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.71 -9.19 53.28 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.742 -0.943 . . . . 25.0 110.742 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.1 33.47 12.21 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.156 0.982 . . . . 25.0 111.454 -176.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -132.16 151.93 51.54 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -122.0 104.82 9.78 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -88.32 143.31 27.09 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 111.301 -2.681 . . . . 25.0 109.412 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.91 127.65 42.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -157.7 164.52 37.05 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.1 t -117.78 148.76 41.76 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 102.26 -3.237 . . . . 25.0 102.26 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.79 4.7 3.33 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.35 0.595 . . . . 25.0 111.439 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.3 p -133.03 130.28 39.2 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -128.33 -75.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.909 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.51 62.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.3 mp0 -78.03 -22.23 49.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.381 -1.282 . . . . 25.0 111.239 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.48 79.61 0.06 OUTLIER Glycine 0 C--O 1.224 -0.501 0 N-CA-C 109.831 -1.308 . . . . 25.0 109.831 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 126.28 27.22 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.774 1.273 . . . . 25.0 110.749 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -179.79 5.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 112.447 -2.16 . . . . 25.0 110.365 -167.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 42.5 p90 -110.85 159.82 17.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.028 0.442 . . . . 25.0 110.574 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -142.61 139.14 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 -174.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.62 163.53 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.9 t -145.38 142.15 29.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.75 130.72 52.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.68 113.89 14.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.46 -179.98 19.79 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 106.87 -2.492 . . . . 25.0 106.87 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.6 m120 -121.32 34.43 5.2 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -176.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 17.96 0.06 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.139 0.971 . . . . 25.0 113.494 -175.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.31 -30.39 66.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 170.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.53 -6.05 56.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.376 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.9 42.3 3.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.264 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.4 124.98 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -161.81 166.15 26.82 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.77 -29.66 67.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.204 0.526 . . . . 25.0 110.822 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.61 -31.42 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.88 -0.513 . . . . 25.0 109.829 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.55 -41.63 45.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.104 0.411 . . . . 25.0 111.772 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.25 124.49 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 121.564 -0.71 . . . . 25.0 112.261 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.68 128.76 37.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -142.59 168.61 19.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.422 -1.696 . . . . 25.0 106.422 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.73 31.64 3.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.396 0.617 . . . . 25.0 111.005 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.234 0.317 0 N-CA-C 113.803 0.655 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mt -82.16 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -90.13 114.33 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-O 122.868 1.318 . . . . 25.0 107.525 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 -138.68 3.56 Favored Glycine 0 C--N 1.315 -0.632 0 CA-C-N 113.086 -1.87 . . . . 25.0 110.553 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -124.66 165.5 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.952 0.406 . . . . 25.0 110.492 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -86.04 2.07 47.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.39 0.614 . . . . 25.0 109.832 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.69 175.52 10.54 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 170.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.38 110.87 3.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.552 -1.647 . . . . 25.0 106.552 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -87.73 127.2 35.31 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 107.76 -1.2 . . . . 50.0 107.76 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -114.77 94.97 5.0 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 102.711 -3.07 . . . . 25.0 102.711 166.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.63 153.41 46.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -129.45 149.22 51.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 25.0 111.528 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.35 -40.04 1.99 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 114.035 -1.439 . . . . 25.0 111.385 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.0 p 45.25 -143.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.353 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.58 -11.45 7.17 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 138.32 58.0 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.26 44.3 3.35 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 109.682 -1.367 . . . . 25.0 109.682 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -149.85 153.85 37.42 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 103.828 -2.656 . . . . 25.0 103.828 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.541 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.1 tp10 -140.69 -179.9 6.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.842 0.353 . . . . 75.0 111.944 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.7 mp -116.01 139.33 43.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 25.0 112.657 -167.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.1 t -112.81 148.39 34.94 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.73 72.83 0.1 OUTLIER Glycine 0 N--CA 1.46 0.3 0 C-N-CA 120.217 -0.992 . . . . 25.0 112.368 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.94 -76.09 0.03 OUTLIER Glycine 0 C--O 1.238 0.378 0 N-CA-C 119.511 2.565 . . . . 25.0 119.511 -168.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.42 11.05 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-O 122.691 1.162 . . . . 25.0 114.011 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.59 165.43 4.66 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.57 81.6 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.59 150.93 32.65 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -129.11 104.1 7.36 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -127.24 121.2 30.55 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -111.11 136.05 50.72 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -6.52 3.58 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-O 119.11 -0.828 . . . . 25.0 115.097 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 16.47 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 118.708 2.855 . . . . 25.0 118.708 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.43 164.32 54.14 Favored Glycine 0 C--O 1.251 1.209 0 O-C-N 120.908 -1.12 . . . . 25.0 115.6 -175.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.96 167.77 33.62 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.33 133.34 12.69 Favored Glycine 0 C--N 1.314 -0.65 0 N-CA-C 107.071 -2.411 . . . . 25.0 107.071 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -126.7 153.6 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.355 0.578 . . . . 50.0 111.207 -169.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.17 98.48 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.65 133.08 53.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.543 0.942 . . . . 25.0 113.543 -171.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.36 117.79 22.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.69 -1.596 . . . . 25.0 106.69 172.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.37 -16.64 68.46 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.72 1.448 . . . . 25.0 116.72 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.35 -158.04 43.24 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-O 125.359 2.644 . . . . 25.0 113.056 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 148.55 32.61 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 109.439 -3.38 . . . . 25.0 112.104 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.34 -172.84 29.45 Favored Glycine 0 C--N 1.312 -0.755 0 CA-C-N 113.572 -1.649 . . . . 25.0 115.1 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -99.7 105.77 17.62 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -112.58 152.92 28.32 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 -170.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -118.87 109.21 15.75 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -120.88 107.04 12.23 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.353 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.74 142.69 33.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.231 -0.918 . . . . 25.0 110.507 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.07 -8.1 1.66 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.92 -125.79 1.84 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-O 125.146 2.525 . . . . 25.0 118.539 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.13 144.82 39.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 109.669 -3.266 . . . . 25.0 111.937 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.81 161.07 37.14 Favored Glycine 0 C--O 1.245 0.808 0 N-CA-C 115.662 1.025 . . . . 25.0 115.662 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.64 65.81 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.39 152.56 44.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.19 -1.368 . . . . 50.0 109.408 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.5 m -110.45 96.12 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.612 -0.885 . . . . 25.0 108.612 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -90.56 122.44 33.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 102.368 -3.197 . . . . 25.0 102.368 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.94 147.22 50.11 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 122.074 0.94 . . . . 25.0 112.094 -164.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.32 102.06 8.22 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.323 -1.308 . . . . 25.0 111.66 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.95 1.33 36.6 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 161.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 91.83 8.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.192 -1.367 . . . . 25.0 110.462 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -85.93 -72.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.244 -0.889 . . . . 25.0 113.003 -173.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -70.52 -18.67 62.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.428 1.109 . . . . 25.0 108.179 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.24 -7.7 54.6 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 114.48 -1.236 . . . . 25.0 111.903 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 36.21 3.67 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.753 -0.658 . . . . 25.0 110.149 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.13 165.09 11.35 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.36 152.31 48.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -178.432 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.98 168.98 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.342 -1.725 . . . . 25.0 106.342 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.06 66.42 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.26 50.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.522 0.677 . . . . 25.0 112.009 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.15 152.8 5.7 Favored Glycine 0 C--N 1.316 -0.554 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.368 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.9 p -118.73 142.08 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -124.94 92.18 3.59 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 104.06 -2.57 . . . . 25.0 104.06 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -122.45 177.17 5.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.759 -0.655 . . . . 25.0 110.679 -170.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.44 112.51 18.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.17 105.39 17.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -85.55 122.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.44 159.91 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.62 79.91 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.059 1.409 . . . . 25.0 114.584 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.24 39.79 0.76 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -169.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.67 72.65 24.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 117.716 2.487 . . . . 25.0 117.716 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -87.73 22.76 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 110.324 -0.683 . . . . 25.0 110.324 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.63 7.96 1.16 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.665 1.586 . . . . 25.0 114.136 -171.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -146.12 55.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.49 155.95 23.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.858 -1.904 . . . . 50.0 105.858 174.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -111.24 125.13 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.175 0.988 . . . . 25.0 113.421 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 tp -114.43 125.05 53.39 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.063 -1.829 . . . . 25.0 106.063 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -116.1 119.53 36.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.792 -0.186 . . . . 25.0 110.67 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.41 13.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.1 p -66.01 -30.03 70.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.195 0.443 . . . . 25.0 112.195 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.91 61.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.58 -14.82 36.68 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.89 -50.78 4.22 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 109.131 -1.587 . . . . 25.0 109.131 -171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.6 t80 68.5 167.76 0.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.882 1.273 . . . . 25.0 109.037 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.3 p -121.16 -20.87 6.61 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 -174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.34 176.74 14.54 Favored Glycine 0 CA--C 1.507 -0.407 0 N-CA-C 108.864 -1.694 . . . . 25.0 108.864 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -125.44 34.72 4.88 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.15 0.975 . . . . 25.0 111.093 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.51 58.36 3.75 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.24 -0.891 . . . . 25.0 115.127 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 58.74 27.42 15.92 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.61 1.708 . . . . 25.0 115.61 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.89 9.78 83.96 Favored Glycine 0 CA--C 1.512 -0.123 0 N-CA-C 117.618 1.807 . . . . 25.0 117.618 168.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -126.2 168.88 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.737 0.769 . . . . 25.0 109.417 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.91 37.87 26.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.953 0.901 . . . . 25.0 109.588 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.3 -15.18 12.77 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.01 171.45 12.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.578 0.689 . . . . 25.0 110.303 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.14 171.79 7.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.17 152.79 44.01 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.696 -1.964 . . . . 25.0 105.696 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.89 142.58 24.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.786 -1.931 . . . . 25.0 105.786 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.6 t -144.88 150.65 37.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.17 132.8 63.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.39 122.22 40.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -78.81 -26.33 44.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.025 0.44 . . . . 25.0 111.133 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -68.37 -26.79 65.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.612 0.72 . . . . 25.0 109.524 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.69 52.24 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.52 -1.032 . . . . 25.0 110.52 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 32.33 10.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.236 1.015 . . . . 25.0 111.45 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -131.55 152.84 50.44 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -123.3 105.86 10.21 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.147 -2.538 . . . . 25.0 104.147 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.13 145.28 24.81 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 111.302 -2.681 . . . . 25.0 109.349 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.8 125.39 37.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -157.94 168.91 25.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -118.64 155.21 31.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 102.554 -3.128 . . . . 25.0 102.554 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.0 0.41 2.16 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 113.259 0.837 . . . . 25.0 113.259 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.95 -34.12 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.514 0.674 . . . . 25.0 110.873 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.1 p -133.16 133.64 43.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -127.95 -73.82 0.59 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.955 -1.475 . . . . 25.0 110.018 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.57 -28.87 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.18 -1.044 . . . . 25.0 108.18 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.6 mp0 -77.87 -21.05 51.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.207 -1.361 . . . . 25.0 111.08 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.74 82.33 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 107.909 -2.076 . . . . 25.0 107.909 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 118.01 7.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.959 1.361 . . . . 25.0 109.83 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -179.87 5.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.397 -2.183 . . . . 25.0 110.484 -166.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.69 157.76 16.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.766 -0.197 . . . . 25.0 111.443 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.01 129.76 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.06 164.18 25.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 106.816 -1.55 . . . . 25.0 106.816 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -134.33 131.66 38.6 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.82 114.01 17.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.26 -179.84 20.46 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.989 -2.444 . . . . 25.0 106.989 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.2 m120 -120.89 30.36 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 13.31 0.09 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -73.28 -29.1 62.5 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 106.489 -1.671 . . . . 25.0 106.489 170.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.19 -11.84 60.4 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.505 -0.771 . . . . 25.0 108.923 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -114.34 37.53 3.34 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.766 -0.652 . . . . 25.0 109.435 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.51 115.19 9.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.8 p -159.85 164.68 33.42 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.2 69.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.106 0.479 . . . . 25.0 110.666 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.035 -0.415 . . . . 25.0 110.446 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -78.48 -37.63 42.91 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.06 127.47 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 112.816 0.672 . . . . 25.0 112.816 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.38 132.31 47.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.247 -1.39 . . . . 25.0 107.247 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.4 168.0 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.83 30.06 2.08 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.586 0.708 . . . . 25.0 110.844 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 C--O 1.236 0.376 0 N-CA-C 114.652 0.982 . . . . 25.0 114.652 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.6 131.82 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.57 114.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 123.143 1.449 . . . . 25.0 107.761 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.24 -137.29 2.55 Favored Glycine 0 C--N 1.314 -0.693 0 CA-C-N 112.693 -2.049 . . . . 25.0 110.094 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -127.56 164.57 21.68 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.375 -0.485 . . . . 25.0 109.804 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -85.82 2.53 45.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.441 0.639 . . . . 25.0 109.818 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.54 176.79 9.48 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 170.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.46 112.28 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.01 132.33 34.79 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -119.66 95.31 4.73 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 102.447 -3.168 . . . . 25.0 102.447 165.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -140.9 153.86 45.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -130.71 148.98 52.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.962 0.886 . . . . 25.0 111.886 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -40.88 1.8 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 113.88 -1.509 . . . . 25.0 111.005 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.3 p 46.04 -145.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.808 -1.196 . . . . 25.0 111.365 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.71 -8.53 4.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.792 2.145 . . . . 25.0 116.792 -170.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 137.73 58.14 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.49 45.96 3.59 Favored Glycine 0 C--O 1.224 -0.474 0 N-CA-C 110.407 -1.077 . . . . 25.0 110.407 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -151.39 157.33 42.27 Favored 'General case' 0 C--O 1.248 1.001 0 N-CA-C 104.305 -2.48 . . . . 25.0 104.305 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.51 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.68 -179.64 6.16 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.51 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -115.51 139.94 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 123.045 0.538 . . . . 25.0 111.322 -168.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 t -113.76 146.98 39.09 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.33 -1.73 . . . . 25.0 106.33 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.23 69.12 0.1 OUTLIER Glycine 0 N--CA 1.461 0.319 0 C-N-CA 120.036 -1.078 . . . . 25.0 112.359 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.09 -73.21 0.05 OUTLIER Glycine 0 C--O 1.238 0.356 0 N-CA-C 119.751 2.66 . . . . 25.0 119.751 -168.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.47 -176.69 11.83 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 122.659 1.144 . . . . 25.0 114.017 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.33 165.05 4.19 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 117.083 1.593 . . . . 25.0 117.083 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.04 81.18 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.43 151.18 31.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -169.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.62 104.86 7.9 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -126.56 123.29 37.38 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 104.782 -2.303 . . . . 25.0 104.782 -170.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -110.89 135.88 50.76 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.168 -1.79 . . . . 25.0 106.168 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.7 -9.69 2.21 Favored Glycine 0 C--O 1.21 -1.366 0 N-CA-C 115.496 0.958 . . . . 25.0 115.496 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 20.88 -101.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 118.008 2.595 . . . . 25.0 118.008 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.47 167.29 54.75 Favored Glycine 0 C--O 1.256 1.478 0 N-CA-C 115.879 1.111 . . . . 25.0 115.879 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.38 166.69 34.9 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 114.179 -1.01 . . . . 25.0 110.663 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.04 132.4 12.14 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.131 -2.388 . . . . 25.0 107.131 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -126.75 152.78 46.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.094 0.447 . . . . 50.0 111.138 -170.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -137.48 99.91 4.08 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.65 135.07 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.765 1.024 . . . . 25.0 113.765 -170.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.2 115.14 17.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 172.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -17.75 66.44 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 116.539 1.376 . . . . 25.0 116.539 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.17 -155.95 42.25 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.58 2.767 . . . . 25.0 113.765 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 148.6 35.29 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 109.16 -3.52 . . . . 25.0 112.086 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.22 -173.68 30.42 Favored Glycine 0 C--N 1.312 -0.765 0 CA-C-N 113.548 -1.66 . . . . 25.0 115.278 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -97.83 104.19 16.19 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 105.063 -2.199 . . . . 25.0 105.063 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -111.26 151.03 28.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.92 1.081 . . . . 50.0 113.92 -170.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -119.39 109.36 15.67 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.49 100.73 7.19 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 -171.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.29 145.36 24.51 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.215 -0.928 . . . . 25.0 110.584 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -5.29 1.31 Allowed Glycine 0 C--O 1.227 -0.328 0 N-CA-C 116.867 1.507 . . . . 25.0 116.867 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 32.45 -128.61 0.28 Allowed Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 119.989 2.756 . . . . 25.0 119.989 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.01 143.04 44.68 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 109.598 -3.301 . . . . 25.0 111.488 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.95 160.02 32.68 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 115.406 0.922 . . . . 25.0 115.406 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.13 67.67 8.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.594 -1.261 . . . . 25.0 107.594 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -70.54 158.35 36.27 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.743 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.3 m -115.8 107.13 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -100.58 123.54 44.93 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 102.71 -3.07 . . . . 25.0 102.71 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.47 144.26 50.62 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 121.806 0.812 . . . . 25.0 112.089 -165.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -120.37 101.99 8.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.533 -1.212 . . . . 25.0 112.317 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.43 2.86 39.82 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.465 -2.42 . . . . 25.0 104.465 162.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.59 93.44 9.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.118 -1.401 . . . . 25.0 110.679 -175.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -85.35 -72.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -71.29 -17.93 62.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.701 1.239 . . . . 25.0 107.665 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -75.04 -10.05 59.11 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 114.004 -1.453 . . . . 25.0 112.239 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.42 33.4 4.31 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.03 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.06 165.48 11.14 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.82 157.04 47.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.8 p -150.55 167.43 27.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.26 65.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -6.09 49.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 25.0 112.057 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.25 147.5 4.54 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.563 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.93 142.52 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.96 92.08 3.52 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 103.395 -2.817 . . . . 25.0 103.395 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -121.92 176.92 5.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.919 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.65 110.27 15.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.7 104.14 16.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -84.28 126.07 40.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.8 165.08 11.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 21.77 80.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.828 2.159 . . . . 25.0 116.828 -173.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.5 41.14 1.46 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.009 -1.45 . . . . 25.0 114.456 -170.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -138.6 71.19 44.51 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 117.528 2.418 . . . . 25.0 117.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -88.28 21.41 1.01 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 N-CA-C 110.058 -0.785 . . . . 25.0 110.058 164.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.1 6.29 0.67 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.739 1.616 . . . . 25.0 114.57 -170.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -145.46 53.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.86 155.46 20.78 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.602 -1.999 . . . . 50.0 105.602 174.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -111.05 129.68 55.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.236 1.017 . . . . 25.0 113.371 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 tp -120.04 133.24 55.59 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 174.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -122.22 117.41 26.1 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.242 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.12 13.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.0 p -67.46 -26.97 66.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.051 -0.405 . . . . 25.0 111.85 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.2 -15.39 62.46 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.657 0.265 . . . . 25.0 111.531 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.67 -11.3 40.18 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.04 -51.31 4.4 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 -171.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 t80 66.56 168.53 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.085 1.354 . . . . 25.0 109.987 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -119.07 -31.69 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.6 177.79 15.17 Favored Glycine 0 CA--C 1.509 -0.339 0 N-CA-C 108.871 -1.692 . . . . 25.0 108.871 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.36 36.6 4.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.07 0.938 . . . . 25.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.56 56.81 3.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.64 1.016 . . . . 25.0 115.64 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 59.73 26.2 15.29 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.881 1.808 . . . . 25.0 115.881 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.55 83.13 Favored Glycine 0 C--O 1.229 -0.177 0 N-CA-C 117.992 1.957 . . . . 25.0 117.992 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -123.8 167.64 13.79 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.818 0.809 . . . . 25.0 109.558 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.43 38.9 28.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.835 0.854 . . . . 25.0 109.783 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.77 -11.58 26.43 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.373 -0.831 . . . . 25.0 115.137 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.4 p -75.65 172.54 12.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.724 0.762 . . . . 25.0 110.504 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.08 168.57 9.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.03 152.84 39.35 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.43 140.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t -145.51 151.18 37.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.793 -1.929 . . . . 25.0 105.793 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.94 133.25 63.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.69 122.11 39.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.717 -1.957 . . . . 25.0 105.717 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -78.99 -23.35 44.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.723 -173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.85 -26.4 65.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.76 0.79 . . . . 25.0 109.397 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.36 -9.4 50.96 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.159 -1.176 . . . . 25.0 110.159 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.45 31.56 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.309 1.044 . . . . 25.0 111.351 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -130.25 149.13 52.08 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.2 t -118.1 103.9 10.32 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 103.841 -2.652 . . . . 25.0 103.841 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -88.19 140.61 29.3 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 111.163 -2.744 . . . . 25.0 109.252 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -127.87 122.43 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -157.82 167.0 31.25 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 t -114.3 153.51 29.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 103.69 -2.707 . . . . 25.0 103.69 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 3.24 2.65 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.3 -32.4 73.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.579 0.704 . . . . 25.0 110.581 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.7 p -135.14 139.85 44.95 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 104.697 -2.335 . . . . 25.0 104.697 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -113.05 -73.8 0.65 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.918 -1.037 . . . . 25.0 113.554 -174.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.74 -38.22 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.094 0.949 . . . . 25.0 108.693 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.634 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.4 mp0 -67.47 -30.53 70.26 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 113.973 -1.467 . . . . 25.0 110.429 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.42 64.34 0.54 Allowed Glycine 0 CA--C 1.501 -0.788 0 N-CA-C 106.66 -2.576 . . . . 25.0 106.66 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 119.82 10.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.339 1.066 . . . . 25.0 108.396 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.4 p -120.15 166.09 13.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.838 -1.983 . . . . 25.0 110.844 -160.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -64.56 148.55 50.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.34 125.6 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.683 -1.228 . . . . 25.0 107.683 171.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.66 165.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -145.55 148.69 33.46 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 tt -133.16 129.58 38.03 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.488 -1.301 . . . . 25.0 107.488 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -79.6 115.64 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.62 179.47 19.46 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 106.047 -2.821 . . . . 25.0 106.047 -174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.8 m120 -121.54 35.98 4.74 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 17.86 0.06 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 122.126 0.965 . . . . 25.0 113.415 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.62 -29.71 64.97 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 170.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.31 -6.85 57.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.259 -0.882 . . . . 25.0 109.457 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.4 42.36 3.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.373 0.606 . . . . 25.0 110.265 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.65 124.55 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.6 p -162.39 165.91 25.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.57 67.72 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.092 0.472 . . . . 25.0 110.878 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.48 -31.55 65.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.998 -0.438 . . . . 25.0 109.976 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.84 -41.28 44.72 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.039 0.381 . . . . 25.0 111.773 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mt -128.96 124.91 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.772 -0.58 . . . . 25.0 112.545 -175.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.05 167.27 22.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.76 32.54 4.35 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.337 0.589 . . . . 25.0 111.319 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 107.052 -1.462 . . . . 25.0 107.052 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.461 -0.438 0 N-CA-C 115.027 1.126 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.32 131.92 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -85.33 114.04 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.033 1.397 . . . . 25.0 107.904 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.18 -136.31 1.91 Allowed Glycine 0 C--N 1.314 -0.665 0 CA-C-N 112.921 -1.945 . . . . 25.0 109.856 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -131.19 170.52 14.46 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.187 -0.596 . . . . 25.0 110.016 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -87.74 4.42 44.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.633 0.73 . . . . 25.0 109.299 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -80.19 175.65 10.46 Favored 'General case' 0 C--O 1.251 1.158 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 170.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -68.76 101.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 173.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.82 119.46 23.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -109.19 95.07 5.38 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 102.956 -2.979 . . . . 25.0 102.956 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -140.95 153.84 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.97 149.6 50.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.825 0.821 . . . . 25.0 111.202 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.82 -39.32 2.04 Favored Glycine 0 CA--C 1.5 -0.879 0 CA-C-N 114.06 -1.427 . . . . 25.0 111.338 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 p 48.22 -145.46 0.33 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.209 -0.995 . . . . 25.0 111.214 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.77 -7.16 6.99 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 138.38 58.25 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.3 3.12 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 110.525 -1.03 . . . . 25.0 110.525 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -152.26 149.56 28.84 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 104.795 -2.298 . . . . 25.0 104.795 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.308 2.2 tp10 -140.65 156.51 46.22 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.469 1.655 . . . . 75.0 115.469 -168.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.65 140.68 15.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.646 -1.161 . . . . 25.0 113.363 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -115.34 149.94 37.09 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 105.145 -2.168 . . . . 25.0 105.145 171.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.38 74.7 0.05 OUTLIER Glycine 0 N--CA 1.469 0.867 0 CA-C-N 119.674 1.125 . . . . 25.0 114.033 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.41 -74.13 0.07 OUTLIER Glycine 0 C--O 1.235 0.213 0 N-CA-C 120.632 3.013 . . . . 25.0 120.632 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.19 -176.07 10.33 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.498 1.055 . . . . 25.0 115.083 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.53 169.23 8.09 Favored Glycine 0 C--N 1.314 -0.67 0 N-CA-C 116.521 1.368 . . . . 25.0 116.521 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.7 81.8 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.89 148.76 38.04 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.17 104.35 7.01 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.161 -2.163 . . . . 25.0 105.161 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.49 120.43 28.3 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.22 136.27 50.55 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -3.86 4.36 Favored Glycine 0 C--O 1.212 -1.248 0 C-N-CA 120.169 -1.015 . . . . 25.0 114.7 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 16.58 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.84 167.03 54.67 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 116.108 1.203 . . . . 25.0 116.108 -174.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.33 163.52 26.19 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 117.845 0.823 . . . . 25.0 113.082 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.66 132.97 12.44 Favored Glycine 0 C--O 1.216 -1.006 0 N-CA-C 106.594 -2.602 . . . . 25.0 106.594 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -129.0 154.85 46.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.295 1.548 . . . . 50.0 110.794 -167.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 17.6 mt -136.85 98.02 3.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.02 140.85 52.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.737 -0.665 . . . . 25.0 111.76 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.14 160.35 41.08 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.65 33.57 1.18 Allowed Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.144 -1.027 . . . . 25.0 113.888 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.95 -127.71 0.01 OUTLIER Glycine 0 C--O 1.238 0.357 0 N-CA-C 120.623 3.009 . . . . 25.0 120.623 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 146.53 52.9 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 112.157 -2.021 . . . . 25.0 112.649 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -172.06 24.68 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 113.647 -1.615 . . . . 25.0 115.886 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -101.92 110.51 22.5 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 103.39 -2.819 . . . . 25.0 103.39 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -119.29 155.84 31.07 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -122.77 107.01 11.43 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.59 109.45 15.26 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.56 143.45 33.7 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.4 -0.812 . . . . 25.0 110.09 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.48 -11.38 1.73 Allowed Glycine 0 C--O 1.222 -0.624 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.36 -128.98 7.11 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-O 125.745 2.858 . . . . 25.0 118.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -60.54 144.21 52.01 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 109.093 -3.554 . . . . 25.0 111.175 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.35 161.31 35.79 Favored Glycine 0 C--O 1.244 0.761 0 N-CA-C 115.669 1.028 . . . . 25.0 115.669 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.24 67.51 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.75 154.6 41.75 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.769 -1.559 . . . . 50.0 109.401 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -113.91 108.79 17.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 104.176 -2.528 . . . . 25.0 104.176 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -115.35 134.63 54.93 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.47 0.652 . . . . 25.0 111.485 -165.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -120.48 98.74 6.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.471 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.07 4.09 36.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.759 -2.311 . . . . 25.0 104.759 165.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.35 93.02 8.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.205 -1.361 . . . . 25.0 110.794 -175.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -84.41 -72.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.42 -19.36 62.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.795 1.283 . . . . 25.0 107.844 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -76.57 -9.19 58.48 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 114.081 -1.418 . . . . 25.0 112.235 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.16 33.29 4.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.769 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -101.99 165.43 11.18 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.66 156.3 48.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.51 167.45 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 171.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.27 64.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.66 -6.25 49.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.802 0.811 . . . . 25.0 111.992 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.48 147.14 4.46 Favored Glycine 0 C--N 1.316 -0.555 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.295 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -118.56 142.86 47.21 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -123.78 92.17 3.62 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 103.074 -2.935 . . . . 25.0 103.074 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 p -126.59 166.43 17.32 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.728 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.23 105.11 17.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.628 -1.249 . . . . 25.0 107.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.57 124.02 39.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 106.997 -1.482 . . . . 25.0 106.997 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.8 mt -101.87 165.74 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 22.31 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.57 42.91 1.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 115.545 1.683 . . . . 25.0 115.545 -170.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -140.29 71.41 33.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.942 2.571 . . . . 25.0 117.942 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.64 21.88 0.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 N-CA-C 110.135 -0.756 . . . . 25.0 110.135 163.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.3 3.91 0.42 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.855 1.662 . . . . 25.0 115.098 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -138.67 32.85 2.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.305 0.642 . . . . 25.0 110.901 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.21 155.14 20.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 50.0 106.962 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.31 131.08 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.202 1.001 . . . . 25.0 113.327 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 tp -121.71 130.48 53.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.13 111.64 19.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.13 14.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -67.78 -26.18 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.98 -0.45 . . . . 25.0 111.111 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.66 -17.32 62.85 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.665 0.269 . . . . 25.0 111.491 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 mt -89.85 -13.42 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.02 -51.14 4.51 Favored Glycine 0 C--O 1.236 0.22 0 N-CA-C 108.95 -1.66 . . . . 25.0 108.95 -170.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 67.26 168.89 0.25 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.216 1.406 . . . . 25.0 109.236 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -121.26 -23.37 5.75 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.97 179.88 16.11 Favored Glycine 0 CA--C 1.508 -0.382 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.76 38.42 4.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 122.096 0.95 . . . . 25.0 111.694 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.41 57.01 4.45 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.334 -0.848 . . . . 25.0 114.956 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 58.82 28.36 17.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.21 8.23 83.97 Favored Glycine 0 N--CA 1.458 0.102 0 N-CA-C 117.802 1.881 . . . . 25.0 117.802 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -125.72 168.61 13.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.775 0.788 . . . . 25.0 109.399 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.11 37.69 26.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.92 0.888 . . . . 25.0 109.493 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.51 -15.04 10.11 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 115.421 0.929 . . . . 25.0 115.421 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -72.79 171.91 11.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.608 0.704 . . . . 25.0 110.466 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.31 169.24 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.82 152.85 39.09 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.3 144.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.1 t -146.91 150.96 36.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.899 . . . . 25.0 105.871 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.78 131.79 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.99 122.28 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -76.54 -29.18 56.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.098 0.475 . . . . 25.0 111.28 -175.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -67.97 -26.7 66.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.414 0.626 . . . . 25.0 109.908 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.31 -9.89 52.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.691 -0.964 . . . . 25.0 110.691 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.25 33.29 12.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.131 0.972 . . . . 25.0 111.212 -175.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -132.43 155.95 47.57 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.481 -0.781 . . . . 25.0 112.775 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.5 t -128.42 109.43 11.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.421 -2.807 . . . . 25.0 103.421 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -93.95 142.55 27.25 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.882 -2.417 . . . . 25.0 109.288 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.36 124.03 29.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -157.56 168.07 28.35 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.1 t -115.59 153.44 31.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.09 4.81 2.28 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.92 -33.51 75.99 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.63 0.729 . . . . 25.0 110.945 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 33.0 p -135.11 140.74 45.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -111.13 -74.7 0.63 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.902 -1.044 . . . . 25.0 113.577 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.89 -37.7 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.51 -30.2 69.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.102 -1.408 . . . . 25.0 110.482 -174.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.35 64.08 0.54 Allowed Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 106.889 -2.484 . . . . 25.0 106.889 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 119.96 11.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.43 1.109 . . . . 25.0 108.357 -177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.4 p -122.55 165.35 16.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 112.802 -1.999 . . . . 25.0 110.899 -160.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.73 147.61 45.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.67 127.41 18.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 171.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.03 165.87 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -144.65 147.34 32.96 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -132.86 130.58 39.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -80.29 112.12 17.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.04 179.48 23.15 Favored Glycine 0 N--CA 1.436 -1.329 0 N-CA-C 106.614 -2.594 . . . . 25.0 106.614 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -119.84 32.04 6.25 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 17.03 0.07 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.74 -30.31 65.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 169.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.77 -8.14 56.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.47 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.71 41.75 3.4 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.115 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.29 119.59 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.5 p -161.23 165.36 29.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.47 67.68 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.03 0.443 . . . . 25.0 110.764 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -72.15 -31.48 66.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.039 -0.413 . . . . 25.0 110.108 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.1 0.409 . . . . 25.0 111.728 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -128.11 122.21 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.754 -0.591 . . . . 25.0 112.269 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.4 tp -92.9 131.05 38.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -140.73 169.1 18.27 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.89 30.43 3.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.495 0.664 . . . . 25.0 110.884 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.236 0.39 0 N-CA-C 114.812 1.043 . . . . 25.0 114.812 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mt -82.1 133.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.32 112.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 122.77 1.271 . . . . 25.0 107.769 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.65 -136.95 3.11 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.414 -1.721 . . . . 25.0 110.54 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -130.93 166.39 21.04 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.35 -0.5 . . . . 25.0 110.301 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.96 3.54 45.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 25.0 109.915 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.25 174.02 11.99 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.46 101.33 1.22 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -81.52 120.71 25.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -108.77 94.88 5.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 102.85 -3.018 . . . . 25.0 102.85 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -140.94 153.43 45.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.9 148.25 49.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.342 0.592 . . . . 25.0 111.401 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.43 -39.43 1.78 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 109.552 -1.419 . . . . 25.0 109.552 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p 48.38 -147.87 0.24 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.115 -1.043 . . . . 25.0 111.364 -176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.94 -6.71 9.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.279 1.955 . . . . 25.0 116.279 -169.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.13 58.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 173.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.67 44.76 3.0 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.369 -1.093 . . . . 25.0 110.369 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -148.65 147.43 28.92 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 2.8 tp10 -140.94 153.99 45.88 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 115.877 1.806 . . . . 75.0 115.877 -174.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.11 137.79 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 125.484 1.514 . . . . 25.0 111.368 -165.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -105.33 148.36 27.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 68.09 0.08 OUTLIER Glycine 0 N--CA 1.466 0.648 0 C-N-CA 119.964 -1.112 . . . . 25.0 114.238 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.61 0.03 OUTLIER Glycine 0 C--O 1.238 0.383 0 N-CA-C 120.102 2.801 . . . . 25.0 120.102 -168.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.62 -177.77 11.41 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 122.74 1.189 . . . . 25.0 114.41 -173.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.67 164.83 4.45 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.65 81.18 5.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -77.35 150.28 35.18 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -170.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -129.37 104.05 7.27 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -124.86 119.39 28.71 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 -170.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -106.42 135.98 46.97 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.16 -4.3 3.3 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 120.775 -0.726 . . . . 25.0 114.056 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 17.26 -103.76 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.652 3.205 . . . . 25.0 119.652 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.6 171.12 53.5 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 116.17 1.228 . . . . 25.0 116.17 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.79 164.59 33.83 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.377 -0.689 . . . . 25.0 111.377 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.32 131.76 10.77 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 106.959 -2.456 . . . . 25.0 106.959 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -127.33 155.21 43.93 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.556 0.678 . . . . 50.0 110.58 -165.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 28.0 mt -138.45 97.84 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -125.1 134.46 52.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.015 0.436 . . . . 25.0 111.501 -169.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -128.91 123.23 32.07 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.54 -20.5 58.32 Favored Glycine 0 C--O 1.229 -0.208 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.05 -155.47 42.6 Favored Glycine 0 N--CA 1.425 -2.099 0 CA-C-O 125.222 2.568 . . . . 25.0 112.812 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 147.49 35.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 109.595 -3.302 . . . . 25.0 112.502 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.05 -172.61 30.95 Favored Glycine 0 C--N 1.314 -0.667 0 CA-C-N 113.512 -1.677 . . . . 25.0 115.502 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.32 106.59 18.89 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -113.3 153.55 28.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.967 -1.015 . . . . 50.0 113.646 -171.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -119.98 109.41 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -121.17 101.64 7.79 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.28 144.39 27.12 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.234 -0.916 . . . . 25.0 110.959 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.21 8.0 1.88 Allowed Glycine 0 N--CA 1.464 0.533 0 N-CA-C 117.613 1.805 . . . . 25.0 117.613 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 21.4 -123.61 0.01 OUTLIER Glycine 0 C--O 1.241 0.551 0 N-CA-C 121.006 3.162 . . . . 25.0 121.006 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.45 145.27 48.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 111.07 -2.565 . . . . 25.0 110.52 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.56 156.58 28.61 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 114.485 0.554 . . . . 25.0 114.485 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 71.37 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.962 -1.866 . . . . 25.0 105.962 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.6 159.38 33.18 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.415 -1.72 . . . . 50.0 110.328 -174.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -114.98 96.59 5.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -89.0 123.06 32.97 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 103.295 -2.854 . . . . 25.0 103.295 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -115.63 139.23 50.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.862 0.839 . . . . 25.0 112.096 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -122.72 102.12 7.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.937 -1.028 . . . . 25.0 111.498 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.27 3.5 35.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 163.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 90.35 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.147 -1.388 . . . . 25.0 112.123 -173.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -82.36 -71.28 0.49 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -67.35 -22.26 65.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.692 1.234 . . . . 25.0 108.867 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -76.59 -7.45 55.24 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 114.263 -1.335 . . . . 25.0 112.104 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -134.55 36.66 3.14 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.742 -0.663 . . . . 25.0 110.072 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -102.06 166.05 10.83 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.49 153.03 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.3 p -150.92 167.97 25.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.67 -25.52 65.74 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.95 50.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 25.0 111.871 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.08 150.21 5.14 Favored Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.2 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -116.92 138.53 51.47 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -124.71 92.07 3.57 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -124.47 175.56 7.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.659 -0.7 . . . . 25.0 110.344 -170.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -119.49 111.89 18.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.08 104.58 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.0 mt -85.43 121.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.514 . . . . 25.0 106.914 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.59 158.83 15.8 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.57 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 122.993 1.377 . . . . 25.0 114.23 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -149.78 42.29 0.87 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.224 1.565 . . . . 25.0 115.224 -169.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 70.1 41.47 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.192 2.293 . . . . 25.0 117.192 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.6 21.31 1.09 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 N-CA-C 110.241 -0.715 . . . . 25.0 110.241 166.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.57 5.83 0.51 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.749 1.62 . . . . 25.0 115.248 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -139.7 29.49 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.243 0.617 . . . . 25.0 111.342 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.67 155.65 21.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 175.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -111.63 123.13 49.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.384 1.088 . . . . 25.0 111.502 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -106.69 115.3 29.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.176 -1.787 . . . . 25.0 106.176 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.09 113.41 26.63 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.966 -0.459 . . . . 25.0 110.648 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.42 14.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.27 -29.04 68.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.933 -0.48 . . . . 25.0 111.013 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.06 -15.59 62.02 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.4 -17.28 37.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.23 -50.41 4.25 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 108.557 -1.817 . . . . 25.0 108.557 -168.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 t80 66.43 170.73 0.24 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.9 1.28 . . . . 25.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.8 p -118.24 -35.03 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.74 18.9 Favored Glycine 0 CA--C 1.507 -0.441 0 N-CA-C 110.37 -1.092 . . . . 25.0 110.37 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.56 130.34 56.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.07 43.54 0.2 Allowed Glycine 0 C--O 1.221 -0.697 0 C-N-CA 120.83 -0.7 . . . . 25.0 111.789 -175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 58.89 26.04 14.4 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.47 8.18 83.6 Favored Glycine 0 C--N 1.328 0.11 0 N-CA-C 117.373 1.709 . . . . 25.0 117.373 169.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -123.57 169.52 11.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.999 0.9 . . . . 25.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.6 36.67 27.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.902 0.881 . . . . 25.0 109.621 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.15 -14.52 7.95 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.8 p -73.45 172.09 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.661 0.73 . . . . 25.0 110.542 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -104.04 168.53 9.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.532 0.682 . . . . 25.0 109.979 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.11 152.85 38.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.1 140.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -146.56 136.58 23.46 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.82 126.94 72.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 p -120.83 127.41 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.84 -19.81 58.62 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -66.8 -26.97 67.2 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.653 0.739 . . . . 25.0 109.961 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.54 -8.7 34.69 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.184 -1.166 . . . . 25.0 110.184 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 51.54 35.11 13.73 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.115 0.966 . . . . 25.0 110.569 -175.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -128.56 147.27 50.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.36 -0.837 . . . . 25.0 112.979 -173.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.2 t -116.7 101.62 8.73 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -88.07 145.92 25.72 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 111.654 -2.521 . . . . 25.0 108.89 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.06 127.94 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -157.99 168.03 28.27 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 t -118.96 151.89 37.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 102.372 -3.195 . . . . 25.0 102.372 175.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.91 6.51 2.0 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.72 -32.92 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.556 0.693 . . . . 25.0 111.057 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.5 p -133.79 139.52 46.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.18 -75.96 0.58 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.952 -1.476 . . . . 25.0 110.617 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.36 -29.13 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.494 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.4 mp0 -76.56 -24.23 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.203 -1.362 . . . . 25.0 110.545 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.79 77.75 0.11 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.161 -1.575 . . . . 25.0 109.161 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 125.02 23.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.8 p -123.17 165.97 15.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.464 -1.698 . . . . 25.0 111.53 -160.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.14 147.31 40.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -144.69 126.83 15.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.91 164.36 25.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -146.28 145.17 30.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.33 132.33 41.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.86 113.24 18.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.33 179.41 26.09 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 106.5 -2.64 . . . . 25.0 106.5 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 145' ' ' ALA . 4.1 m120 -120.98 30.22 6.97 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 16.76 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.34 -30.69 66.49 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.103 -1.814 . . . . 25.0 106.103 170.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.08 -7.35 56.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.331 -0.85 . . . . 25.0 109.478 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.25 41.73 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.21 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.17 121.05 23.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.5 p -160.78 165.79 29.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.5 67.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.22 0.533 . . . . 25.0 111.105 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.25 -32.86 64.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.946 -0.471 . . . . 25.0 109.952 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.26 -38.84 50.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.3 mt -129.67 123.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 121.742 -0.599 . . . . 25.0 111.432 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -95.41 128.46 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -140.5 168.48 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.81 31.56 3.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.306 0.574 . . . . 25.0 111.125 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.234 0.279 0 N-CA-C 115.662 1.37 . . . . 25.0 115.662 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.11 131.74 33.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 105.858 -1.905 . . . . 25.0 105.858 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -88.13 115.32 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-O 123.018 1.39 . . . . 25.0 107.358 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.09 -139.09 3.43 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 112.973 -1.921 . . . . 25.0 110.504 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -119.42 162.95 17.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.044 0.45 . . . . 25.0 110.505 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -86.48 3.02 45.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 25.0 109.828 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.83 177.18 9.02 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 170.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.55 111.31 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -88.61 124.34 33.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -111.92 95.19 5.34 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 102.592 -3.114 . . . . 25.0 102.592 165.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.1 mt -140.95 153.83 45.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -129.88 150.21 51.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.951 0.881 . . . . 25.0 111.339 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.92 -38.92 2.25 Favored Glycine 0 CA--C 1.494 -1.259 0 CA-C-N 113.944 -1.48 . . . . 25.0 111.428 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 p 46.75 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.697 -1.251 . . . . 25.0 111.566 -176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.27 -10.51 11.15 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 137.81 58.07 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.41 3.17 Favored Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.567 -1.013 . . . . 25.0 110.567 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -148.01 151.37 35.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -141.11 153.98 45.69 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 113.536 0.939 . . . . 75.0 113.536 -174.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.488 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -97.49 137.18 25.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.888 -1.506 . . . . 25.0 110.429 -163.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 t -111.92 147.45 35.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.44 73.8 0.12 Allowed Glycine 0 C--N 1.318 -0.447 0 C-N-CA 119.872 -1.156 . . . . 25.0 112.685 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.37 -76.06 0.03 OUTLIER Glycine 0 C--O 1.236 0.279 0 N-CA-C 119.475 2.55 . . . . 25.0 119.475 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.67 -176.07 11.38 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-O 122.642 1.135 . . . . 25.0 113.867 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.35 165.07 4.22 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 116.984 1.553 . . . . 25.0 116.984 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 81.6 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -78.85 152.89 31.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -130.34 104.11 7.08 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.81 121.26 31.4 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 -170.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.59 136.33 50.93 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.57 -5.41 5.01 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-O 118.907 -0.941 . . . . 25.0 115.059 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 19.62 -98.86 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.22 166.98 54.03 Favored Glycine 0 C--O 1.256 1.479 0 CA-C-O 122.901 1.278 . . . . 25.0 115.427 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.79 167.5 35.08 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 113.801 -1.2 . . . . 25.0 110.737 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.48 136.34 19.96 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 106.797 -2.521 . . . . 25.0 106.797 170.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -127.87 155.74 43.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.194 0.497 . . . . 50.0 110.096 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 2.6 mt -143.97 98.13 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.65 133.11 55.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -168.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CG ' ' HE ' ' A' ' 64' ' ' ARG . 2.6 m-20 -118.61 118.36 31.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 171.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.23 -23.22 52.39 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.414 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 63.16 -158.29 38.62 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-O 125.586 2.77 . . . . 25.0 114.221 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.59 149.03 36.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 109.283 -3.459 . . . . 25.0 111.8 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.21 -173.75 29.2 Favored Glycine 0 C--N 1.312 -0.797 0 CA-C-N 113.575 -1.648 . . . . 25.0 115.043 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -98.28 104.05 16.05 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.015 -2.217 . . . . 25.0 105.015 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -112.16 147.45 36.12 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -113.69 109.52 18.72 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.1 mt -120.68 103.03 8.8 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 119.825 -0.131 . . . . 25.0 111.087 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.79 139.38 36.56 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.381 -0.824 . . . . 25.0 109.953 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.52 -16.88 2.46 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.951 1.54 . . . . 25.0 116.951 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.84 -133.49 36.11 Favored Glycine 0 N--CA 1.433 -1.522 0 CA-C-O 126.199 3.11 . . . . 25.0 117.168 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.96 145.62 52.4 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 108.322 -3.939 . . . . 25.0 110.753 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.44 162.05 36.08 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.456 0.942 . . . . 25.0 115.456 174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.98 67.1 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -68.16 153.02 44.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.856 -1.52 . . . . 50.0 109.603 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -112.57 105.54 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -99.59 121.0 40.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 102.951 -2.981 . . . . 25.0 102.951 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HE ' ' CG ' ' A' ' 46' ' ' ASP . 39.2 ptt180 -118.62 145.41 45.45 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.834 0.826 . . . . 25.0 112.084 -166.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -122.47 100.54 6.99 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.43 -1.259 . . . . 25.0 111.214 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.32 1.5 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.078 -2.564 . . . . 25.0 104.078 161.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.66 90.32 8.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.179 -1.373 . . . . 25.0 110.869 -175.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -86.83 -72.0 0.53 Allowed 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.13 -17.81 63.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.522 1.154 . . . . 25.0 108.234 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -74.42 -7.06 51.68 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-N 114.457 -1.247 . . . . 25.0 111.881 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -131.6 35.43 3.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.337 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.0 164.5 11.68 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.07 151.46 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.85 171.22 17.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.74 66.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.98 -6.79 54.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.706 0.765 . . . . 25.0 112.023 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.42 151.36 5.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.841 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 p -118.83 140.21 50.33 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 122.285 -0.538 . . . . 25.0 109.967 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -123.29 92.11 3.62 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 102.851 -3.018 . . . . 25.0 102.851 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -123.73 177.81 5.53 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.164 -169.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.1 124.99 45.21 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -107.37 104.44 14.03 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -87.23 119.78 35.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -101.7 159.65 15.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.83 80.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.98 43.86 0.98 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -142.93 72.91 18.79 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 118.411 2.745 . . . . 25.0 118.411 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -88.12 22.17 0.92 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 N-CA-C 110.438 -0.639 . . . . 25.0 110.438 164.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.71 6.12 0.81 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.77 1.628 . . . . 25.0 114.525 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -145.32 54.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 154.77 21.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 174.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -111.21 128.95 56.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.39 1.091 . . . . 25.0 113.421 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.09 131.09 54.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.51 115.24 23.05 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.176 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.4 14.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.6 p -66.83 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.014 -0.429 . . . . 25.0 111.578 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.75 -14.26 61.95 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.77 0.285 . . . . 25.0 111.77 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.1 -14.19 39.46 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.11 -51.39 4.4 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 108.818 -1.713 . . . . 25.0 108.818 -169.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 66.24 170.15 0.23 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.928 1.291 . . . . 25.0 109.192 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.5 p -121.2 -32.78 3.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.6 178.05 15.66 Favored Glycine 0 CA--C 1.508 -0.365 0 N-CA-C 108.423 -1.871 . . . . 25.0 108.423 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -122.44 36.33 4.66 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.956 0.884 . . . . 25.0 111.584 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.99 56.46 3.93 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.644 1.018 . . . . 25.0 115.644 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 59.32 26.69 15.58 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.85 7.01 84.63 Favored Glycine 0 CA--C 1.512 -0.102 0 N-CA-C 117.855 1.902 . . . . 25.0 117.855 167.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -123.79 168.68 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.719 0.759 . . . . 25.0 109.557 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.64 37.78 27.51 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.82 0.848 . . . . 25.0 109.661 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.96 -10.45 26.27 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -76.86 172.33 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.778 0.789 . . . . 25.0 110.263 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.44 168.21 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.55 152.87 37.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.8 p -115.88 140.67 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -144.36 134.44 24.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 126.28 71.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 p -120.68 129.89 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 -25.5 59.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -68.83 -25.78 64.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.622 0.725 . . . . 25.0 110.029 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.48 -14.4 38.2 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.83 33.56 14.54 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.243 1.021 . . . . 25.0 110.184 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -131.83 151.33 51.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.543 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -120.86 102.81 8.61 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -88.3 142.14 27.98 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 111.888 -2.415 . . . . 25.0 109.058 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.48 122.7 26.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -157.79 167.26 30.55 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 t -117.53 149.98 39.71 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.974 -2.973 . . . . 25.0 102.974 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.87 4.7 2.56 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.73 -34.1 77.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 111.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.0 p -135.41 138.63 43.46 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -126.29 -63.93 1.07 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.305 -1.316 . . . . 25.0 111.361 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.84 -28.76 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.6 mp0 -77.0 -24.13 52.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.11 -1.405 . . . . 25.0 110.458 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.8 80.44 0.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 106.231 -2.748 . . . . 25.0 106.231 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 118.94 9.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 122.955 1.36 . . . . 25.0 109.144 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -179.37 5.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 112.211 -2.268 . . . . 25.0 110.148 -164.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -104.92 154.91 19.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.573 0.225 . . . . 25.0 110.977 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.82 129.33 16.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.695 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.86 164.02 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 93.0 p -146.67 152.7 39.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.54 133.62 38.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.87 111.93 18.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.0 177.8 24.34 Favored Glycine 0 N--CA 1.438 -1.207 0 N-CA-C 106.764 -2.534 . . . . 25.0 106.764 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.3 m120 -119.29 28.72 8.05 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 15.85 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.9 -29.35 63.08 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 169.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.13 -8.86 57.75 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.177 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.83 39.12 3.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.923 -0.581 . . . . 25.0 109.967 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.03 117.82 16.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.1 p -160.12 164.77 32.72 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.198 0.523 . . . . 25.0 110.852 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.35 -33.36 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.131 -0.356 . . . . 25.0 110.235 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.79 -41.46 37.24 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.267 0.469 . . . . 25.0 112.267 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.44 123.73 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.858 -0.526 . . . . 25.0 112.304 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.76 132.08 42.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -140.95 168.58 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.3 31.55 3.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 111.41 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 C--O 1.233 0.233 0 N-CA-C 115.118 1.161 . . . . 25.0 115.118 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.34 129.61 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.87 -1.9 . . . . 25.0 105.87 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.93 110.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 122.787 1.279 . . . . 25.0 108.078 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.77 -139.37 3.36 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 113.322 -1.763 . . . . 25.0 110.091 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -122.63 166.0 15.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.92 0.391 . . . . 25.0 110.258 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -85.98 2.4 46.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 25.0 109.636 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.72 175.95 10.23 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.21 112.48 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.742 -1.577 . . . . 25.0 106.742 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -89.7 136.27 33.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.2 95.08 4.55 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 102.533 -3.136 . . . . 25.0 102.533 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 mt -140.76 153.95 46.08 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -174.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -131.81 149.83 52.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.825 0.822 . . . . 25.0 111.786 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.418 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.15 -41.02 1.86 Allowed Glycine 0 CA--C 1.497 -1.053 0 CA-C-N 113.929 -1.487 . . . . 25.0 110.723 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.7 p 44.99 -145.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.849 -1.175 . . . . 25.0 111.399 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.57 -11.44 11.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -170.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.31 140.47 57.98 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.53 48.01 3.95 Favored Glycine 0 C--O 1.222 -0.611 0 N-CA-C 110.294 -1.122 . . . . 25.0 110.294 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 157.88 43.75 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.2 tp10 -140.9 -179.59 6.15 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.027 0.751 . . . . 75.0 113.027 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.579 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 23.7 mm -109.12 136.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.286 0.634 . . . . 25.0 111.393 -167.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -117.28 153.63 32.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 171.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.9 71.41 0.05 OUTLIER Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.108 -1.044 . . . . 25.0 112.285 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -74.83 0.04 OUTLIER Glycine 0 C--O 1.237 0.289 0 N-CA-C 119.426 2.53 . . . . 25.0 119.426 -168.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.02 11.05 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-O 122.647 1.137 . . . . 25.0 113.884 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.7 164.05 4.14 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.98 1.552 . . . . 25.0 116.98 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.85 81.3 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -79.8 151.04 30.52 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.675 0.991 . . . . 50.0 113.675 -170.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -127.38 106.28 9.1 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 105.094 -2.187 . . . . 25.0 105.094 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.63 123.9 36.71 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -111.8 136.13 51.49 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.34 -11.05 1.38 Allowed Glycine 0 C--O 1.211 -1.295 0 N-CA-C 115.48 0.952 . . . . 25.0 115.48 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 19.09 -96.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.275 2.695 . . . . 25.0 118.275 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.93 167.77 54.53 Favored Glycine 0 C--O 1.257 1.587 0 CA-C-O 122.533 1.074 . . . . 25.0 115.625 -174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.53 166.05 34.03 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.196 -1.002 . . . . 25.0 110.675 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.27 132.19 11.88 Favored Glycine 0 C--N 1.317 -0.485 0 N-CA-C 106.887 -2.485 . . . . 25.0 106.887 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -127.1 156.17 42.15 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.919 0.36 . . . . 50.0 111.696 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -139.67 103.18 4.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.1 133.02 53.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -171.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.4 113.22 15.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.433 -1.691 . . . . 25.0 106.433 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.05 67.47 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.679 1.431 . . . . 25.0 116.679 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.25 -157.76 39.74 Favored Glycine 0 N--CA 1.425 -2.046 0 CA-C-O 125.41 2.672 . . . . 25.0 113.597 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 149.05 37.1 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 109.405 -3.397 . . . . 25.0 111.917 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.48 -174.73 28.59 Favored Glycine 0 C--N 1.313 -0.703 0 CA-C-N 113.521 -1.672 . . . . 25.0 114.988 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -97.57 104.37 16.39 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.599 -2.371 . . . . 25.0 104.599 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -111.57 149.38 31.52 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.765 1.024 . . . . 50.0 113.765 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -117.48 109.34 16.62 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.1 mt -121.69 99.47 6.48 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.548 0.574 . . . . 25.0 112.548 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.13 145.02 24.84 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.082 -1.011 . . . . 25.0 111.158 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.53 -2.14 1.55 Allowed Glycine 0 N--CA 1.464 0.56 0 N-CA-C 117.436 1.735 . . . . 25.0 117.436 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 29.81 -127.49 0.12 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 120.315 2.886 . . . . 25.0 120.315 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.47 143.57 39.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 109.859 -3.171 . . . . 25.0 111.442 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.46 161.42 33.7 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.09 68.32 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -72.29 156.02 39.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.953 -1.476 . . . . 50.0 109.911 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -112.07 108.66 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.642 0.734 . . . . 25.0 109.091 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -101.45 124.04 46.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 102.407 -3.183 . . . . 25.0 102.407 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -123.69 142.47 51.04 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.849 0.833 . . . . 25.0 111.834 -165.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.09 102.74 8.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.493 -1.23 . . . . 25.0 112.262 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.64 2.27 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.096 -2.557 . . . . 25.0 104.096 160.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 90.72 8.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.237 -1.347 . . . . 25.0 111.033 -175.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -86.67 -72.8 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.276 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.1 -17.98 63.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.631 1.205 . . . . 25.0 108.247 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.42 -9.83 59.1 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 114.253 -1.34 . . . . 25.0 111.733 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -131.82 40.74 3.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.384 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -102.46 164.41 11.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.67 151.58 46.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.8 p -150.84 169.45 21.65 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.406 -1.702 . . . . 25.0 106.406 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -25.11 66.97 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.3 -4.83 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.694 . . . . 25.0 112.176 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.59 154.25 6.09 Favored Glycine 0 C--N 1.317 -0.476 0 CA-C-N 115.209 -0.905 . . . . 25.0 113.588 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.65 140.15 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.75 92.28 3.57 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.338 -2.467 . . . . 25.0 104.338 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 p -120.57 178.87 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.997 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -120.35 110.31 16.39 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.51 104.73 16.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.9 mt -84.43 123.51 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.423 -1.325 . . . . 25.0 107.423 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.79 158.75 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.01 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.08 1.352 . . . . 25.0 114.53 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -150.53 44.47 0.86 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 115.729 1.751 . . . . 25.0 115.729 -169.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -141.72 72.53 24.45 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -87.13 21.79 1.01 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.466 -0.628 . . . . 25.0 110.466 164.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.41 4.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 125.832 1.653 . . . . 25.0 114.983 -171.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -139.43 31.45 2.11 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.298 0.639 . . . . 25.0 110.802 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.85 155.91 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -111.16 130.62 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.224 1.012 . . . . 25.0 112.913 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -120.79 134.34 55.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 105.364 -2.087 . . . . 25.0 105.364 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -122.03 116.49 24.38 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.34 13.86 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -67.4 -27.63 67.24 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.935 -0.478 . . . . 25.0 111.356 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.07 -14.69 61.92 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.628 0.251 . . . . 25.0 111.648 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.64 -13.6 36.73 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 -51.43 4.5 Favored Glycine 0 C--O 1.237 0.318 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 -169.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.0 t80 67.08 169.04 0.25 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.192 1.397 . . . . 25.0 109.592 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.6 p -118.07 -32.66 4.67 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.13 177.88 15.33 Favored Glycine 0 CA--C 1.509 -0.344 0 N-CA-C 108.528 -1.829 . . . . 25.0 108.528 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 tp -122.33 40.12 3.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.048 0.928 . . . . 25.0 111.081 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.22 56.67 4.39 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 115.258 -0.883 . . . . 25.0 114.87 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 58.61 26.13 14.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.56 1.689 . . . . 25.0 115.56 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.76 7.51 84.07 Favored Glycine 0 CA--C 1.511 -0.16 0 N-CA-C 117.728 1.851 . . . . 25.0 117.728 168.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -121.48 167.86 12.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.06 0.93 . . . . 25.0 109.844 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.37 38.17 28.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.799 0.839 . . . . 25.0 109.921 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.23 -9.94 30.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 115.269 0.867 . . . . 25.0 115.269 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.3 p -76.72 171.89 13.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.727 0.763 . . . . 25.0 110.073 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.3 168.92 8.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.8 152.77 41.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.37 141.2 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.4 t -146.22 149.26 33.58 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.591 -2.003 . . . . 25.0 105.591 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.67 131.51 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -121.0 122.28 39.8 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.87 -19.55 51.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.562 0.949 . . . . 25.0 113.562 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.59 -26.35 66.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.402 0.62 . . . . 25.0 109.988 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.91 -4.72 39.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.225 -1.15 . . . . 25.0 110.225 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.74 33.82 9.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.279 1.031 . . . . 25.0 111.635 -176.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -125.64 145.3 50.22 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -116.18 103.13 10.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 104.044 -2.576 . . . . 25.0 104.044 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -88.05 142.52 27.71 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 110.942 -2.844 . . . . 25.0 108.769 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.91 125.34 41.39 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -157.88 166.73 31.9 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -116.86 153.29 32.78 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 102.469 -3.16 . . . . 25.0 102.469 174.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.04 3.87 2.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.49 -33.42 75.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.491 0.663 . . . . 25.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.2 p -135.82 138.47 42.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.33 -72.44 0.52 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.033 -1.44 . . . . 25.0 110.01 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.08 59.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.3 mp0 -80.18 -22.21 42.18 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.163 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.11 81.5 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 108.458 -1.857 . . . . 25.0 108.458 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 119.82 10.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.697 1.237 . . . . 25.0 109.616 -174.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -179.85 5.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.299 -2.228 . . . . 25.0 111.406 -164.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -99.42 157.17 16.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.507 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -145.4 130.48 18.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.929 0.491 . . . . 25.0 109.893 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.22 165.94 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.3 t -146.74 148.24 31.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.46 131.14 39.55 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -81.26 110.08 16.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 153.17 -178.47 30.21 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 106.584 -2.606 . . . . 25.0 106.584 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 145' ' ' ALA . 4.4 m120 -122.75 32.31 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 16.83 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.71 -29.59 64.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.4 -6.71 57.42 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.317 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.87 3.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.32 124.72 29.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.2 p -162.24 165.75 26.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.25 68.68 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.121 0.486 . . . . 25.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.51 -31.83 67.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.04 -0.413 . . . . 25.0 110.045 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.52 -42.43 43.23 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.076 -0.39 . . . . 25.0 111.801 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.8 mt -129.03 123.28 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.9 tp -93.59 131.62 38.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -140.06 168.71 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.75 31.46 3.34 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.315 0.579 . . . . 25.0 111.155 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.233 0.242 0 N-CA-C 114.323 0.855 . . . . 25.0 114.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -82.03 129.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -84.3 112.3 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 123.191 1.472 . . . . 25.0 109.318 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.39 -137.18 2.16 Favored Glycine 0 C--N 1.312 -0.773 0 CA-C-N 112.735 -2.029 . . . . 25.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -125.48 164.03 21.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.235 -0.568 . . . . 25.0 110.255 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -86.7 3.51 44.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.464 0.65 . . . . 25.0 109.933 173.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -82.49 177.6 8.65 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -67.62 111.31 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -88.68 131.78 34.86 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -119.58 95.19 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 102.537 -3.134 . . . . 25.0 102.537 166.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.92 153.64 45.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -131.74 149.94 52.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.859 0.838 . . . . 25.0 111.847 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.8 -41.57 1.69 Allowed Glycine 0 CA--C 1.496 -1.102 0 CA-C-N 113.973 -1.467 . . . . 25.0 111.136 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 p 44.92 -141.16 0.28 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 113.858 -1.171 . . . . 25.0 110.864 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.16 -13.23 11.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.837 2.162 . . . . 25.0 116.837 -171.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 136.6 58.12 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.67 42.49 3.13 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.94 148.0 30.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 105.682 -1.969 . . . . 25.0 105.682 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -139.79 154.19 47.32 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 115.852 1.797 . . . . 75.0 115.852 -173.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.532 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.51 139.36 17.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 113.848 -1.524 . . . . 25.0 113.071 -165.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.3 t -111.66 150.5 30.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.24 69.15 0.09 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 119.548 -1.311 . . . . 25.0 114.491 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.71 0.03 OUTLIER Glycine 0 C--O 1.236 0.23 0 N-CA-C 119.797 2.679 . . . . 25.0 119.797 -168.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.78 -176.21 11.86 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 122.643 1.135 . . . . 25.0 114.196 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.0 169.25 4.81 Favored Glycine 0 C--N 1.311 -0.816 0 N-CA-C 117.177 1.631 . . . . 25.0 117.177 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.93 82.48 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.4 152.38 28.89 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -130.48 105.3 7.77 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.61 122.06 33.97 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 105.197 -2.149 . . . . 25.0 105.197 -170.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -112.77 135.98 52.9 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.5 -10.85 2.56 Favored Glycine 0 C--O 1.205 -1.69 0 N-CA-C 115.554 0.982 . . . . 25.0 115.554 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 20.41 -98.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 118.734 2.864 . . . . 25.0 118.734 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.65 164.69 54.7 Favored Glycine 0 C--O 1.247 0.944 0 O-C-N 120.782 -1.199 . . . . 25.0 115.965 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.28 168.59 33.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-O 121.782 0.657 . . . . 25.0 111.465 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.7 133.68 16.08 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 107.504 -2.238 . . . . 25.0 107.504 171.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -127.86 155.71 43.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.417 0.609 . . . . 50.0 110.165 -170.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.4 tt -143.65 98.41 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -124.07 145.01 49.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.501 -166.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.86 147.91 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 171.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.05 -27.22 7.48 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 115.693 1.037 . . . . 25.0 115.693 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.95 -157.99 45.42 Favored Glycine 0 N--CA 1.423 -2.172 0 CA-C-O 125.073 2.485 . . . . 25.0 111.606 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.85 148.03 31.53 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.752 -3.224 . . . . 25.0 111.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.11 -171.06 28.02 Favored Glycine 0 C--N 1.312 -0.787 0 CA-C-N 113.754 -1.566 . . . . 25.0 113.906 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -104.2 107.6 18.59 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -114.14 158.09 21.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -122.84 110.32 15.29 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -121.78 103.12 8.64 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 111.658 0.244 . . . . 25.0 111.658 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.05 144.3 27.7 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.137 -0.977 . . . . 25.0 110.901 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.0 -14.15 1.13 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 116.393 1.317 . . . . 25.0 116.393 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.48 -127.94 5.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 125.514 2.73 . . . . 25.0 118.266 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.12 144.01 41.83 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 109.166 -3.517 . . . . 25.0 111.61 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.62 162.4 38.2 Favored Glycine 0 C--O 1.245 0.796 0 N-CA-C 115.699 1.04 . . . . 25.0 115.699 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.46 67.88 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.63 154.09 41.43 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.983 -1.462 . . . . 50.0 109.422 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 m -114.42 96.6 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.718 0.77 . . . . 25.0 109.301 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.207 -2.146 . . . . 25.0 105.207 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -111.87 138.33 48.62 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.4 0.619 . . . . 25.0 111.008 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.07 95.54 4.65 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.246 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.5 4.16 40.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 166.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.38 94.81 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.081 -1.418 . . . . 25.0 110.46 -175.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -86.85 -73.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.255 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -69.31 -20.19 63.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.65 1.214 . . . . 25.0 108.205 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -74.99 -9.03 58.15 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 t -131.85 38.0 3.58 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.064 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.04 164.32 11.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -143.13 153.24 42.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.309 1.226 . . . . 25.0 114.309 -177.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.1 p -150.43 168.65 23.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.95 65.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.53 -5.45 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 25.0 112.03 178.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.93 148.43 4.74 Favored Glycine 0 C--N 1.315 -0.606 0 CA-C-N 115.115 -0.948 . . . . 25.0 113.893 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.89 141.11 48.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -125.43 91.96 3.52 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 103.7 -2.704 . . . . 25.0 103.7 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.5 p -123.74 -162.07 1.03 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.746 -0.661 . . . . 25.0 110.475 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.18 116.36 9.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.57 104.61 16.66 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -82.76 124.9 39.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -101.42 165.73 11.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 22.18 79.25 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.869 2.174 . . . . 25.0 116.869 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.94 40.28 1.51 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 113.644 -1.616 . . . . 25.0 114.524 -171.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -137.89 69.9 50.43 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 117.414 2.375 . . . . 25.0 117.414 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -87.79 21.03 1.08 Allowed 'Trans proline' 0 CA--C 1.541 0.839 0 N-CA-C 109.994 -0.81 . . . . 25.0 109.994 163.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 58.96 5.72 0.55 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.868 1.667 . . . . 25.0 114.582 -170.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -144.27 52.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.74 154.4 21.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -111.31 129.73 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.105 0.955 . . . . 25.0 112.779 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.02 125.76 44.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -108.03 117.08 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.066 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.44 12.86 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -70.19 -22.51 62.94 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.907 -0.495 . . . . 25.0 110.863 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.79 63.37 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.639 0.257 . . . . 25.0 111.096 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.9 mt -93.02 -10.37 36.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.1 -49.4 4.23 Favored Glycine 0 C--O 1.237 0.282 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.9 t80 68.61 168.65 0.28 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.262 1.425 . . . . 25.0 109.119 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -119.72 -31.54 4.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -174.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.75 -179.82 17.09 Favored Glycine 0 CA--C 1.51 -0.276 0 N-CA-C 108.867 -1.693 . . . . 25.0 108.867 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tp -122.87 44.62 2.6 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.066 0.933 . . . . 25.0 111.901 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' H ' ' HB ' ' A' ' 110' ' ' THR . . . -80.75 55.33 4.72 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 115.508 -0.769 . . . . 25.0 114.213 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.04 28.38 16.21 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.518 1.673 . . . . 25.0 115.518 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.82 6.5 85.22 Favored Glycine 0 C--N 1.326 -0.023 0 N-CA-C 117.731 1.852 . . . . 25.0 117.731 168.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -123.21 168.92 11.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 117.799 0.8 . . . . 25.0 109.684 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.81 37.8 27.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.813 0.845 . . . . 25.0 109.648 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.95 -10.2 27.48 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.251 0.861 . . . . 25.0 115.251 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.406 ' HB ' ' H ' ' A' ' 104' ' ' GLY . 33.1 p -76.93 171.51 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.695 0.748 . . . . 25.0 110.535 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -104.38 170.75 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.09 152.53 48.58 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.37 146.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -144.77 149.99 36.45 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.82 132.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.73 122.3 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.49 -29.48 52.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.114 0.483 . . . . 25.0 111.172 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.03 -26.59 65.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 25.0 109.923 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.53 52.64 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.93 34.14 13.05 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.206 1.003 . . . . 25.0 111.287 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.508 -174.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -128.17 108.7 10.84 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 103.815 -2.661 . . . . 25.0 103.815 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -93.39 145.04 24.77 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.62 -2.536 . . . . 25.0 108.993 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.73 128.18 40.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -157.94 167.68 29.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.44 150.35 37.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.31 5.96 2.53 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.85 -33.75 76.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.584 0.707 . . . . 25.0 111.062 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -135.0 137.08 42.66 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 105.742 -1.947 . . . . 25.0 105.742 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.93 -65.57 1.05 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.491 -1.231 . . . . 25.0 111.639 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.69 -29.41 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.5 mp0 -76.04 -24.57 55.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.185 -1.37 . . . . 25.0 110.563 -175.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.63 79.43 0.12 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 105.895 -2.882 . . . . 25.0 105.895 -176.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.7 6.16 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.97 1.367 . . . . 25.0 109.584 -174.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.68 -179.87 5.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 111.649 -2.523 . . . . 25.0 109.726 -164.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.88 156.21 17.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -144.72 133.08 21.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.046 0.538 . . . . 25.0 109.791 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.73 164.13 26.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 106.598 -1.631 . . . . 25.0 106.598 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.38 146.48 32.55 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.98 131.63 39.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -79.62 114.08 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.54 179.36 21.75 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 106.783 -2.527 . . . . 25.0 106.783 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.2 m120 -120.35 32.18 6.13 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 18.12 0.07 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 122.112 0.958 . . . . 25.0 113.504 -174.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -70.47 -32.11 69.51 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 170.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.31 55.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.203 -0.908 . . . . 25.0 109.645 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.69 42.07 3.38 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.035 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.0 124.91 32.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.438 -1.69 . . . . 25.0 106.438 175.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.0 p -161.79 167.58 24.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.13 -29.34 67.37 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.062 0.458 . . . . 25.0 110.934 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -72.41 -29.89 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.917 -0.489 . . . . 25.0 110.251 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -80.2 -44.45 19.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.87 -0.519 . . . . 25.0 111.903 173.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.78 127.02 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.6 tp -100.45 128.03 46.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.04 167.79 21.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.124 -1.436 . . . . 25.0 107.124 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.4 31.29 3.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.334 0.588 . . . . 25.0 111.357 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 N-CA-C 115.48 1.3 . . . . 25.0 115.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 131.36 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.04 113.62 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 123.125 1.441 . . . . 25.0 108.395 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.04 -135.85 1.77 Allowed Glycine 0 C--N 1.315 -0.625 0 CA-C-N 112.776 -2.011 . . . . 25.0 110.174 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -128.85 170.26 13.6 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.094 -0.651 . . . . 25.0 110.374 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -87.52 3.06 48.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.575 0.702 . . . . 25.0 109.119 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 tp -79.58 174.41 11.61 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -70.09 100.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -87.38 118.88 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.23 94.96 5.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 165.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.93 153.94 51.88 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -129.97 150.67 51.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.703 0.764 . . . . 25.0 111.814 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.94 -37.41 2.54 Favored Glycine 0 C--N 1.321 -0.277 0 CA-C-N 113.851 -1.522 . . . . 25.0 112.109 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.1 p 46.38 -145.57 0.21 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 113.442 -1.379 . . . . 25.0 110.881 -174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.64 -6.94 3.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.21 2.3 . . . . 25.0 117.21 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 138.42 58.31 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.61 43.73 3.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -147.84 147.4 29.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.769 -1.567 . . . . 25.0 106.769 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 2.6 tp10 -140.98 154.35 46.0 Favored 'General case' 0 C--O 1.176 -2.806 0 N-CA-C 117.623 2.453 . . . . 75.0 117.623 -172.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.48 141.35 14.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 113.65 -1.614 . . . . 25.0 111.569 -165.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -113.98 150.01 34.48 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.124 2.17 . . . . 25.0 105.478 171.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 73.11 0.07 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 119.866 -1.159 . . . . 25.0 115.826 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.99 -77.55 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 N-CA-C 120.013 2.765 . . . . 25.0 120.013 -168.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.76 -175.67 10.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 122.554 1.086 . . . . 25.0 114.332 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.18 168.2 5.59 Favored Glycine 0 C--N 1.312 -0.75 0 N-CA-C 116.485 1.354 . . . . 25.0 116.485 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 82.35 3.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -79.08 153.37 30.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -130.69 104.63 7.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 104.822 -2.288 . . . . 25.0 104.822 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.12 116.14 21.59 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -171.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.08 136.11 49.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.22 -0.71 5.85 Favored Glycine 0 C--O 1.215 -1.05 0 CA-C-O 118.401 -1.222 . . . . 25.0 115.465 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 18.7 -101.32 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.49 168.09 54.69 Favored Glycine 0 C--O 1.274 2.596 0 N-CA-C 115.236 0.854 . . . . 25.0 115.236 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.2 164.78 34.93 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 120.111 -1.042 . . . . 25.0 111.085 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.2 134.8 14.81 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 105.67 -2.972 . . . . 25.0 105.67 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -125.58 157.34 37.38 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 -168.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.8 tt -144.63 97.89 3.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.49 145.23 50.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.057 -164.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -138.99 147.74 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.95 9.26 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 116.388 1.315 . . . . 25.0 116.388 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 63.82 -156.31 43.85 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.115 2.508 . . . . 25.0 112.121 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.12 148.37 40.81 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 109.802 -3.199 . . . . 25.0 111.713 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.56 -172.33 27.34 Favored Glycine 0 C--N 1.312 -0.789 0 CA-C-N 113.728 -1.578 . . . . 25.0 115.185 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -100.19 105.92 17.56 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -114.52 155.26 26.77 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -169.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -121.48 109.72 15.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.195 -1.409 . . . . 25.0 107.195 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.5 mt -120.99 112.68 19.04 Favored 'General case' 0 C--O 1.209 -1.053 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.77 141.02 47.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.063 0.847 . . . . 25.0 110.72 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.47 -10.86 2.29 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 116.932 1.533 . . . . 25.0 116.932 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.76 -125.97 7.98 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-O 125.4 2.667 . . . . 25.0 117.301 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.25 146.18 51.61 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 109.582 -3.309 . . . . 25.0 110.769 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.48 161.09 36.86 Favored Glycine 0 C--O 1.244 0.766 0 N-CA-C 115.14 0.816 . . . . 25.0 115.14 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.9 68.63 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.89 -1.522 . . . . 25.0 106.89 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -66.13 153.09 43.29 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.165 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 m -113.37 96.0 5.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.663 0.744 . . . . 25.0 109.06 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -86.99 126.34 34.67 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -109.2 138.57 45.34 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.551 0.691 . . . . 25.0 110.207 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -121.22 98.0 5.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.75 2.21 32.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.418 -2.438 . . . . 25.0 104.418 165.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.19 89.78 7.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.403 -176.493 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -86.8 -72.39 0.51 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.866 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -70.93 -18.1 62.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.54 1.162 . . . . 25.0 107.964 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.29 -7.98 55.4 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-N 114.568 -1.196 . . . . 25.0 112.049 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -130.81 35.92 3.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.17 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.86 165.96 10.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -137.14 155.68 49.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -178.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.3 p -150.86 168.17 25.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.32 66.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -6.08 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.707 0.765 . . . . 25.0 112.285 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.18 151.91 5.53 Favored Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.438 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.1 p -118.88 143.26 47.08 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.852 0.358 . . . . 25.0 110.346 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.5 92.19 3.56 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -120.81 175.79 5.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.708 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.31 113.5 19.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.03 105.57 17.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.77 121.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.4 mt -101.89 160.65 14.3 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.322 -0.236 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 32.81 78.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.116 1.436 . . . . 25.0 114.461 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.36 39.33 0.9 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.65 -1.614 . . . . 25.0 115.171 -170.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -138.94 70.43 42.48 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 117.437 2.384 . . . . 25.0 117.437 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.21 20.89 1.08 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.169 -0.743 . . . . 25.0 110.169 164.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.68 7.03 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.663 1.585 . . . . 25.0 114.509 -170.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -145.15 54.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.8 154.27 24.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.453 -2.055 . . . . 50.0 105.453 174.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 131.6 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 122.226 1.012 . . . . 25.0 113.116 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.0 tp -123.62 133.0 54.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 106.015 -1.846 . . . . 25.0 106.015 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -119.15 111.84 18.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.756 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.38 13.57 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -28.33 68.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.029 -0.42 . . . . 25.0 110.941 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.6 62.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.5 mt -87.62 -16.11 35.39 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.07 -52.01 4.48 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 108.306 -1.918 . . . . 25.0 108.306 -168.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.4 t80 65.87 170.7 0.22 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.037 1.335 . . . . 25.0 109.549 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -120.77 -32.91 3.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 113.635 0.976 . . . . 25.0 113.635 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.28 179.02 16.12 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.16 39.55 3.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.02 0.914 . . . . 25.0 111.589 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.53 56.16 4.45 Favored Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.296 -0.865 . . . . 25.0 115.151 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 58.93 27.5 16.33 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.893 1.812 . . . . 25.0 115.893 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.94 7.4 83.91 Favored Glycine 0 N--CA 1.458 0.114 0 N-CA-C 117.841 1.896 . . . . 25.0 117.841 167.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -124.2 168.38 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.805 0.803 . . . . 25.0 109.701 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.77 38.01 27.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.803 0.841 . . . . 25.0 109.649 -174.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.91 -11.4 21.45 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 115.259 0.864 . . . . 25.0 115.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 p -76.59 171.57 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.793 0.796 . . . . 25.0 110.359 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -104.29 169.35 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 152.89 41.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.14 144.01 24.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 t -146.87 153.29 39.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.12 133.84 60.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.96 122.45 40.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -79.01 -26.52 43.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.049 0.452 . . . . 25.0 111.162 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.75 -26.55 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.444 0.64 . . . . 25.0 109.548 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -8.68 54.3 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.58 30.57 8.74 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 25.0 111.846 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -131.32 152.06 50.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -120.89 105.16 10.43 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.37 143.4 26.86 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 111.329 -2.669 . . . . 25.0 109.376 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -130.64 126.79 37.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.55 168.34 27.57 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.3 t -118.64 152.33 36.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 102.646 -3.094 . . . . 25.0 102.646 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.1 3.19 2.62 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.61 -34.03 76.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.536 0.684 . . . . 25.0 111.209 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.1 p -135.59 138.12 42.64 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -123.03 -66.21 1.04 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.182 -1.372 . . . . 25.0 111.556 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.75 -29.31 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.2 mp0 -75.35 -24.6 57.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.276 -175.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.86 78.86 0.13 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 106.46 -2.656 . . . . 25.0 106.46 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.03 5.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 123.138 1.447 . . . . 25.0 109.496 -175.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 166.0 12.23 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 111.617 -2.538 . . . . 25.0 110.38 -163.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -85.64 154.31 21.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.45 129.68 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.24 166.56 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 149.01 32.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.25 132.44 39.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.06 115.02 19.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.49 179.62 19.49 Favored Glycine 0 N--CA 1.437 -1.241 0 N-CA-C 106.785 -2.526 . . . . 25.0 106.785 -175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.8 m120 -121.02 31.39 6.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 16.56 0.07 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.87 -29.87 64.82 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 170.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.0 -7.13 56.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.417 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.56 3.49 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.68 122.95 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -160.57 164.82 31.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.35 69.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.076 0.465 . . . . 25.0 110.851 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.97 -32.03 66.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.073 -0.392 . . . . 25.0 110.067 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.51 -42.53 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.099 0.409 . . . . 25.0 111.847 174.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.27 124.79 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.8 tp -95.27 132.44 40.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -140.36 168.69 19.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.29 31.28 3.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.344 0.592 . . . . 25.0 111.281 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--O 1.234 0.309 0 N-CA-C 114.537 0.937 . . . . 25.0 114.537 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.82 133.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.49 116.32 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.71 -139.38 3.33 Favored Glycine 0 C--N 1.313 -0.723 0 CA-C-N 112.88 -1.964 . . . . 25.0 110.869 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -118.34 166.22 12.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.141 0.496 . . . . 25.0 110.836 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -87.24 3.35 46.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.488 0.661 . . . . 25.0 109.573 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -82.67 176.89 9.0 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.537 -1.282 . . . . 25.0 107.537 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.01 111.66 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -93.7 125.02 38.09 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.34 95.1 4.91 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 104.574 -2.38 . . . . 25.0 104.574 165.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -137.82 153.44 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -128.28 149.34 50.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.916 0.865 . . . . 25.0 112.209 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.23 -39.74 2.21 Favored Glycine 0 CA--C 1.496 -1.155 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.573 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p 45.64 -144.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.822 -1.189 . . . . 25.0 111.088 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.56 -10.32 7.8 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.788 2.144 . . . . 25.0 116.788 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 138.13 58.02 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 44.52 3.35 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -150.37 157.88 43.54 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 104.397 -2.446 . . . . 25.0 104.397 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.8 tp10 -140.83 -179.37 6.02 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 123.22 0.325 . . . . 50.0 111.269 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.0 mp -121.08 137.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.926 -168.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -116.17 149.86 38.38 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.03 77.43 0.1 OUTLIER Glycine 0 N--CA 1.464 0.512 0 C-N-CA 119.758 -1.211 . . . . 25.0 113.256 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.3 -77.92 0.02 OUTLIER Glycine 0 C--O 1.238 0.345 0 N-CA-C 119.495 2.558 . . . . 25.0 119.495 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.51 -176.07 11.04 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-O 122.8 1.222 . . . . 25.0 113.733 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.42 165.89 4.71 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 116.934 1.534 . . . . 25.0 116.934 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.9 81.87 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -78.88 152.12 31.39 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.886 1.069 . . . . 50.0 113.886 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -128.96 104.06 7.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.004 -2.221 . . . . 25.0 105.004 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.84 118.33 25.27 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.36 136.19 48.42 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.95 -1.871 . . . . 25.0 105.95 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.59 -6.38 2.65 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 119.036 -0.869 . . . . 25.0 115.248 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 18.33 -95.84 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 118.279 2.696 . . . . 25.0 118.279 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.57 166.46 54.18 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-O 122.512 1.062 . . . . 25.0 115.508 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.65 167.41 34.58 Favored Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 110.764 -0.934 . . . . 25.0 110.764 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.74 133.87 13.71 Favored Glycine 0 C--N 1.313 -0.706 0 N-CA-C 106.962 -2.455 . . . . 25.0 106.962 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.86 154.84 43.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 117.208 0.504 . . . . 50.0 111.1 -170.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.51 101.61 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -125.55 130.16 51.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -168.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.28 121.97 44.53 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 170.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.66 -21.31 54.07 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 115.791 1.076 . . . . 25.0 115.791 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 64.94 -160.25 42.35 Favored Glycine 0 N--CA 1.424 -2.114 0 CA-C-O 125.203 2.557 . . . . 25.0 113.124 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 149.11 30.61 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.682 -3.259 . . . . 25.0 111.944 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -174.03 30.51 Favored Glycine 0 C--N 1.313 -0.731 0 CA-C-N 113.456 -1.702 . . . . 25.0 114.97 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.21 107.18 19.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.64 154.94 25.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.885 -1.052 . . . . 50.0 113.287 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -120.27 108.62 14.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -119.27 109.26 15.61 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.573 -0.251 . . . . 25.0 110.668 -172.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.43 37.9 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.953 0.797 . . . . 25.0 110.381 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.35 -4.94 2.14 Favored Glycine 0 N--CA 1.464 0.559 0 N-CA-C 117.749 1.86 . . . . 25.0 117.749 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 35.9 -125.38 0.81 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 125.196 2.553 . . . . 25.0 118.934 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.08 145.41 46.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 109.851 -3.175 . . . . 25.0 111.575 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.4 161.18 36.4 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 115.518 0.967 . . . . 25.0 115.518 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.66 67.16 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -68.92 153.79 43.17 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.042 -1.436 . . . . 50.0 109.655 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 m -113.01 96.42 5.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.968 0.89 . . . . 25.0 108.753 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -87.42 124.63 33.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 102.411 -3.181 . . . . 25.0 102.411 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -122.98 146.15 47.87 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.81 0.814 . . . . 25.0 111.38 -164.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -123.37 101.76 7.53 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.54 -1.209 . . . . 25.0 111.681 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.65 1.16 37.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.257 -2.498 . . . . 25.0 104.257 161.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.49 90.78 8.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.214 -1.357 . . . . 25.0 110.878 -175.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttt-85 -86.86 -72.74 0.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.904 -1.044 . . . . 25.0 113.278 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.54 1.162 . . . . 25.0 108.16 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -73.85 -8.36 55.77 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 114.363 -1.289 . . . . 25.0 111.704 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -132.0 38.52 3.51 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.421 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -102.0 164.91 11.46 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.23 156.59 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -150.77 170.71 18.57 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.38 -24.13 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -6.16 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.524 0.678 . . . . 25.0 112.557 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.25 153.35 5.89 Favored Glycine 0 C--N 1.316 -0.573 0 CA-C-N 115.279 -0.873 . . . . 25.0 114.194 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.6 140.54 49.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 122.365 -0.491 . . . . 25.0 111.045 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -123.62 91.94 3.58 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.871 -2.64 . . . . 25.0 103.871 175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 p -124.26 177.64 5.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.661 -0.699 . . . . 25.0 110.122 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.02 110.68 18.55 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -90.3 105.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.73 120.33 38.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -101.74 159.55 15.23 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.396 0.278 . . . . 25.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.32 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.86 40.63 0.74 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.639 1.718 . . . . 25.0 115.639 -169.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -140.16 72.07 33.35 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 117.98 2.585 . . . . 25.0 117.98 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -87.63 22.02 0.96 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 N-CA-C 110.405 -0.652 . . . . 25.0 110.405 164.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.36 4.98 0.54 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.803 1.641 . . . . 25.0 114.908 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -138.27 30.69 2.41 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.35 0.66 . . . . 25.0 110.953 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.18 156.57 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 175.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -110.99 128.65 55.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.114 0.959 . . . . 25.0 112.882 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.25 126.93 54.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 105.846 -1.909 . . . . 25.0 105.846 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -116.81 115.75 26.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.34 16.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.198 -0.668 . . . . 25.0 109.198 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -65.74 -31.05 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.064 -0.397 . . . . 25.0 111.974 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.59 -14.08 38.45 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -51.97 4.34 Favored Glycine 0 N--CA 1.454 -0.156 0 N-CA-C 108.54 -1.824 . . . . 25.0 108.54 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 65.67 173.72 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.813 1.245 . . . . 25.0 109.686 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -126.18 -45.56 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 177.07 27.98 Favored Glycine 0 CA--C 1.509 -0.306 0 N-CA-C 106.553 -2.619 . . . . 25.0 106.553 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -127.19 24.36 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.539 1.17 . . . . 25.0 108.824 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.46 66.69 1.95 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.482 1.353 . . . . 25.0 116.482 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 61.66 21.04 11.84 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 25.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.89 71.73 Favored Glycine 0 C--O 1.228 -0.271 0 N-CA-C 118.101 2.0 . . . . 25.0 118.101 166.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -125.63 166.78 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.097 0.948 . . . . 25.0 109.67 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.06 38.87 30.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.622 0.769 . . . . 25.0 110.417 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.73 -10.21 47.15 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -75.58 171.23 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.076 0.938 . . . . 25.0 110.023 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.96 170.82 7.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.267 -1.753 . . . . 25.0 106.267 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.44 152.5 40.19 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 p -115.51 139.93 39.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -146.25 152.82 39.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.608 -1.997 . . . . 25.0 105.608 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.62 134.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.66 122.09 39.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -80.68 -22.98 39.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.97 0.414 . . . . 25.0 111.334 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.9 -26.96 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.8 -8.43 54.29 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.51 30.06 7.92 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.381 1.072 . . . . 25.0 111.913 -176.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -130.28 148.72 52.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.18 0.808 . . . . 25.0 113.18 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -116.96 104.03 10.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 103.634 -2.728 . . . . 25.0 103.634 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -88.29 142.26 27.89 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.979 -2.828 . . . . 25.0 109.026 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -126.82 122.97 36.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -157.75 163.82 37.72 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.6 t -113.52 152.59 30.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.864 -3.013 . . . . 25.0 102.864 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.48 3.83 2.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.139 -0.937 . . . . 25.0 112.915 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.71 -33.07 74.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.617 0.723 . . . . 25.0 110.491 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.9 p -136.85 137.66 39.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 106.393 -1.706 . . . . 25.0 106.393 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.32 -71.33 0.65 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.435 -1.257 . . . . 25.0 110.342 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.77 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.4 mp0 -78.36 -22.14 48.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.957 -175.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -171.34 82.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 106.743 -2.543 . . . . 25.0 106.743 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 117.73 7.52 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 123.281 1.515 . . . . 25.0 109.72 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.24 166.06 12.8 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 111.611 -2.541 . . . . 25.0 110.208 -164.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.79 154.62 18.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.791 -0.641 . . . . 25.0 110.986 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -144.26 132.49 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.839 0.455 . . . . 25.0 110.294 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.64 166.07 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 173.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.1 t -147.77 147.02 29.42 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -130.47 131.59 45.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -78.72 110.29 13.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.75 -177.47 25.99 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 106.588 -2.605 . . . . 25.0 106.588 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 145' ' ' ALA . 4.1 m120 -123.04 30.34 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 13.0 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -174.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.47 -30.02 64.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.307 -1.738 . . . . 25.0 106.307 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.78 60.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.191 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.69 37.95 3.09 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.422 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.97 117.85 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 96.1 p -158.94 166.08 32.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.63 68.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.151 0.5 . . . . 25.0 110.597 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.57 -31.43 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.54 -40.31 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 174.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -128.86 123.45 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -98.51 134.2 41.8 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -142.3 169.4 17.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.68 30.54 3.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.411 0.624 . . . . 25.0 111.231 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo . . . . . 0 C--O 1.235 0.332 0 N-CA-C 114.079 0.761 . . . . 25.0 114.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.54 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.59 116.02 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.62 -138.96 3.16 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 112.966 -1.924 . . . . 25.0 110.71 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.147 0.499 . . . . 25.0 110.707 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -86.9 2.89 47.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 25.0 109.626 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.27 175.84 10.26 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -67.71 111.8 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 173.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -92.61 128.99 38.67 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.582 -1.266 . . . . 50.0 107.582 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 95.27 4.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.1 -2.556 . . . . 25.0 104.1 165.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.41 153.95 47.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -172.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.45 149.14 50.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.93 0.872 . . . . 25.0 112.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.63 -39.7 2.01 Favored Glycine 0 CA--C 1.497 -1.067 0 CA-C-N 113.913 -1.494 . . . . 25.0 111.467 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p 46.54 -146.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.882 -1.159 . . . . 25.0 111.44 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.98 -8.53 5.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.749 2.129 . . . . 25.0 116.749 -170.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.22 137.86 58.04 Favored 'General case' 0 C--O 1.252 1.205 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 46.17 3.62 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 110.299 -1.121 . . . . 25.0 110.299 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -151.42 157.86 42.95 Favored 'General case' 0 C--O 1.253 1.262 0 N-CA-C 104.153 -2.536 . . . . 25.0 104.153 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.95 -179.78 6.27 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.827 0.346 . . . . 50.0 111.595 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.517 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.6 mp -121.47 137.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.025 -168.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -115.04 154.64 28.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.143 -1.799 . . . . 25.0 106.143 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.06 75.21 0.08 OUTLIER Glycine 0 C--N 1.319 -0.363 0 C-N-CA 120.057 -1.068 . . . . 25.0 112.511 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.36 -76.13 0.03 OUTLIER Glycine 0 C--O 1.237 0.31 0 N-CA-C 119.428 2.531 . . . . 25.0 119.428 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.69 -176.45 12.03 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-O 122.767 1.204 . . . . 25.0 113.859 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.02 165.03 4.92 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.844 1.497 . . . . 25.0 116.844 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.16 81.52 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.98 151.62 31.49 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -170.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.4 104.31 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.678 -2.341 . . . . 25.0 104.678 171.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.94 121.74 33.98 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 105.127 -2.175 . . . . 25.0 105.127 -171.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -110.5 135.84 50.55 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.49 -6.95 2.25 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 115.572 0.989 . . . . 25.0 115.572 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 20.08 -100.93 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.21 167.81 54.85 Favored Glycine 0 C--O 1.258 1.612 0 N-CA-C 115.848 1.099 . . . . 25.0 115.848 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 166.36 34.68 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.193 -1.004 . . . . 25.0 110.669 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.69 132.56 12.06 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 107.003 -2.439 . . . . 25.0 107.003 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -127.04 154.11 45.09 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 117.015 0.407 . . . . 50.0 111.251 -169.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -138.71 101.54 4.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.21 131.86 53.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -170.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.4 116.38 24.67 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.87 -19.97 60.41 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 -174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.35 -158.73 38.62 Favored Glycine 0 N--CA 1.425 -2.063 0 CA-C-O 125.339 2.633 . . . . 25.0 113.487 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.98 149.22 32.65 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 109.397 -3.401 . . . . 25.0 111.697 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.66 -174.38 29.25 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.566 -1.652 . . . . 25.0 115.002 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -99.12 104.97 17.0 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -111.83 151.6 28.88 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -118.96 109.35 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.5 mt -120.92 102.71 8.53 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 144.49 26.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.218 -0.926 . . . . 25.0 110.366 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.92 -2.17 1.45 Allowed Glycine 0 N--CA 1.46 0.239 0 N-CA-C 117.022 1.569 . . . . 25.0 117.022 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 31.09 -127.07 0.18 Allowed Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 119.9 2.72 . . . . 25.0 119.9 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.81 142.92 44.11 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 109.892 -3.154 . . . . 25.0 111.447 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.6 159.41 32.82 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 174.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 66.78 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.31 154.84 41.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.064 -1.426 . . . . 50.0 109.619 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.1 m -113.74 99.92 8.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.704 0.764 . . . . 25.0 108.98 174.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -92.08 125.82 36.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -127.91 145.04 51.08 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.929 0.871 . . . . 25.0 111.8 -164.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -118.81 102.21 8.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.337 -1.302 . . . . 25.0 112.062 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.51 36.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.221 -2.511 . . . . 25.0 104.221 161.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 92.15 9.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.268 -1.333 . . . . 25.0 110.482 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -86.46 -71.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 -172.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -72.1 -17.4 61.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -74.32 -9.81 58.97 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.218 -1.356 . . . . 25.0 112.079 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -131.0 35.28 3.96 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.57 165.79 10.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.9 157.48 46.32 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.0 p -150.88 167.34 27.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.106 -2.553 . . . . 25.0 104.106 170.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.31 -24.96 64.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.75 -5.88 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 25.0 111.96 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.25 4.29 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 115.082 -0.963 . . . . 25.0 113.546 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -118.93 142.19 47.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -125.21 92.18 3.58 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 p -119.78 178.16 4.69 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.79 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.3 110.58 15.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.126 -1.064 . . . . 50.0 108.126 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.49 104.6 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.76 125.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.41 165.8 11.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 22.92 79.71 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.608 2.077 . . . . 25.0 116.608 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.75 41.02 1.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.824 -1.535 . . . . 25.0 114.951 -169.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -140.0 71.36 35.0 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 117.946 2.573 . . . . 25.0 117.946 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.24 22.94 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 N-CA-C 110.204 -0.729 . . . . 25.0 110.204 164.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.54 4.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.83 1.652 . . . . 25.0 114.886 -171.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -139.57 32.42 2.06 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.357 0.663 . . . . 25.0 111.131 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.94 156.68 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.803 -1.554 . . . . 50.0 106.803 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -111.1 127.02 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.277 1.037 . . . . 25.0 113.423 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 tp -115.27 126.94 55.11 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.925 -1.879 . . . . 25.0 105.925 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.31 117.43 29.5 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.717 -0.22 . . . . 25.0 110.464 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.3 m -124.38 14.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -66.76 -28.6 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.21 -13.83 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.5 -13.88 39.17 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 174.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.79 -50.09 4.13 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 108.549 -1.821 . . . . 25.0 108.549 -169.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 66.36 171.35 0.24 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.948 1.299 . . . . 25.0 109.188 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 p -120.17 -31.73 4.33 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.77 179.19 16.24 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 108.627 -1.789 . . . . 25.0 108.627 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.89 36.94 4.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.016 0.908 . . . . 25.0 111.193 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.23 3.75 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.216 -0.902 . . . . 25.0 115.215 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 58.99 26.74 15.42 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.46 9.01 84.13 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 117.755 1.862 . . . . 25.0 117.755 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -124.13 168.32 13.06 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.862 0.831 . . . . 25.0 109.74 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.34 27.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.867 0.867 . . . . 25.0 109.611 -174.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.62 -11.87 24.18 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 115.212 0.845 . . . . 25.0 115.212 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 p -75.44 171.75 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.699 0.75 . . . . 25.0 110.362 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.09 170.55 7.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.66 152.91 44.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.76 144.62 20.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -145.7 150.39 36.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.41 132.88 64.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.29 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.82 -25.91 44.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.968 0.413 . . . . 25.0 111.183 -174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.8 -26.25 65.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.562 0.696 . . . . 25.0 109.539 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.0 -9.46 51.99 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.326 -1.11 . . . . 25.0 110.326 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.33 32.02 10.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.168 0.987 . . . . 25.0 111.457 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -131.16 152.68 50.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.9 t -123.66 106.16 10.31 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -91.46 145.5 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 111.278 -2.692 . . . . 25.0 109.457 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.22 126.85 40.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -157.64 167.42 30.16 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 t -115.8 153.95 30.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 102.884 -3.006 . . . . 25.0 102.884 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.3 3.24 2.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.01 -33.12 74.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.65 0.738 . . . . 25.0 110.173 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.4 p -135.51 140.58 44.88 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 104.704 -2.332 . . . . 25.0 104.704 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.57 -74.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.978 -1.01 . . . . 25.0 113.37 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.72 -37.8 12.79 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 122.092 0.948 . . . . 25.0 108.646 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.638 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.01 -30.93 71.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.178 -1.373 . . . . 25.0 110.377 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.48 64.51 0.55 Allowed Glycine 0 CA--C 1.501 -0.821 0 N-CA-C 106.097 -2.801 . . . . 25.0 106.097 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 121.81 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.589 1.185 . . . . 25.0 108.649 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 33.6 p -119.0 165.81 13.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 112.544 -2.116 . . . . 25.0 110.154 -160.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.27 150.87 46.93 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -140.55 127.98 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 171.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.4 164.62 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 106.476 -1.675 . . . . 25.0 106.476 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.39 148.79 33.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tt -134.07 131.12 38.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -79.26 113.57 17.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.31 179.99 21.17 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 106.673 -2.571 . . . . 25.0 106.673 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -121.08 32.05 6.12 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 14.43 0.08 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.427 1.269 . . . . 25.0 114.427 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.88 -29.19 62.98 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 170.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.88 -8.97 58.18 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.195 174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.34 39.38 3.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.154 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.3 mt -74.1 119.53 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -160.61 164.88 31.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.38 -30.44 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 25.0 110.617 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.85 -31.6 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.104 -0.373 . . . . 25.0 110.255 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.85 -40.52 39.98 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.2 mt -129.34 126.04 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.9 tp -99.37 131.98 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -141.95 168.79 18.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.65 31.7 3.07 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.298 0.571 . . . . 25.0 111.118 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.462 -0.325 0 N-CA-C 113.301 0.462 . . . . 25.0 113.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.22 125.54 39.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.18 112.31 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-O 123.081 1.42 . . . . 25.0 108.583 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.79 -136.96 2.7 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 112.943 -1.935 . . . . 25.0 110.169 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -129.9 170.65 13.66 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.244 -0.562 . . . . 25.0 110.528 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -87.26 2.55 49.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.543 0.687 . . . . 25.0 109.404 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.01 174.36 11.67 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.47 110.52 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.32 124.29 38.25 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -114.62 95.07 5.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.111 -2.181 . . . . 25.0 105.111 166.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -136.8 153.95 50.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 -173.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -127.86 148.24 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.237 1.017 . . . . 25.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 -41.37 2.16 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.176 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.1 p 45.2 -144.67 0.17 Allowed 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.166 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.18 -10.47 4.52 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 117.23 2.307 . . . . 25.0 117.23 -170.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 140.25 58.14 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.69 44.96 3.42 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 108.9 -1.68 . . . . 25.0 108.9 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -150.08 151.06 32.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.896 -2.261 . . . . 25.0 104.896 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.294 3.2 tp10 -141.14 157.32 45.44 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.871 1.804 . . . . 75.0 115.871 -171.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -99.65 139.9 20.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-N 114.914 -1.039 . . . . 25.0 111.504 -165.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -115.3 148.49 39.15 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.76 72.77 0.08 OUTLIER Glycine 0 N--CA 1.465 0.579 0 C-N-CA 120.061 -1.066 . . . . 25.0 113.097 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.47 -76.92 0.02 OUTLIER Glycine 0 C--O 1.237 0.3 0 N-CA-C 119.309 2.484 . . . . 25.0 119.309 -168.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.4 11.02 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-O 122.826 1.236 . . . . 25.0 114.062 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 164.63 4.77 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 81.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -78.68 151.87 31.95 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -170.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.6 104.47 7.68 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.54 121.34 33.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.242 -2.133 . . . . 25.0 105.242 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -109.48 136.08 49.46 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.79 -1.929 . . . . 25.0 105.79 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 -7.34 2.43 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.606 1.002 . . . . 25.0 115.606 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 18.36 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 119.015 2.968 . . . . 25.0 119.015 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.75 167.66 54.79 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.141 -1.028 . . . . 25.0 115.314 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.63 167.35 34.43 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 117.695 0.748 . . . . 25.0 112.174 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.42 130.52 9.82 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -124.33 152.69 42.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.673 0.736 . . . . 50.0 110.55 -168.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.0 mt -138.4 97.91 3.48 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 -177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.51 133.04 54.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -170.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 115.45 18.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 172.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.85 -17.79 69.35 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 117.036 1.574 . . . . 25.0 117.036 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.18 43.95 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.164 2.535 . . . . 25.0 112.773 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 149.34 35.77 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 109.731 -3.234 . . . . 25.0 111.787 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.82 -174.37 29.04 Favored Glycine 0 C--N 1.312 -0.759 0 CA-C-N 113.618 -1.628 . . . . 25.0 115.344 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -97.71 103.98 15.96 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -111.36 150.43 29.75 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -170.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -117.76 109.32 16.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.5 mt -120.68 102.16 8.21 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.35 142.94 27.88 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.238 -0.914 . . . . 25.0 110.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.78 -9.95 1.45 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 116.674 1.43 . . . . 25.0 116.674 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.36 -128.03 2.25 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-O 125.466 2.703 . . . . 25.0 119.017 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -56.55 143.1 36.81 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.383 -3.408 . . . . 25.0 111.978 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.75 160.93 37.0 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 115.639 1.016 . . . . 25.0 115.639 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.12 66.24 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.448 1.099 . . . . 25.0 108.334 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -67.13 154.29 41.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.015 -1.448 . . . . 50.0 109.611 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.1 m -112.58 98.67 7.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -92.73 123.07 35.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 102.55 -3.13 . . . . 25.0 102.55 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -126.37 144.96 50.64 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-O 121.983 0.896 . . . . 25.0 111.895 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.91 103.59 9.18 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.233 -1.349 . . . . 25.0 111.764 -172.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.3 1.23 35.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.302 -2.481 . . . . 25.0 104.302 161.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 90.86 8.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.167 -1.378 . . . . 25.0 110.753 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -87.0 -71.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -173.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -71.32 -17.96 62.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.484 1.135 . . . . 25.0 107.95 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -74.35 -8.79 57.46 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.531 -1.213 . . . . 25.0 111.819 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 36.86 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.167 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -102.69 165.1 11.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 152.97 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.183 0.809 . . . . 25.0 113.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.3 p -150.55 171.36 17.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 171.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.85 -24.21 66.11 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.68 54.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 25.0 111.978 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.11 152.88 5.75 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 114.211 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -118.98 139.4 51.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.089 0.471 . . . . 25.0 110.039 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.69 92.57 3.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 103.782 -2.673 . . . . 25.0 103.782 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 p -121.07 173.43 7.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 25.0 110.786 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.71 110.63 19.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.04 104.51 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -84.64 126.02 40.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.78 165.61 11.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 22.9 79.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -144.74 39.71 1.26 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.831 -1.531 . . . . 25.0 114.846 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -139.76 71.76 36.14 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 117.806 2.521 . . . . 25.0 117.806 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.95 22.25 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 N-CA-C 110.087 -0.774 . . . . 25.0 110.087 163.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 59.36 6.97 0.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.768 1.627 . . . . 25.0 114.346 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.6 54.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 155.99 21.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 173.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.14 127.46 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.269 1.033 . . . . 25.0 113.371 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 tp -116.71 130.32 56.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 174.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -119.84 118.42 30.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.182 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.28 14.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.7 p -66.1 -30.19 70.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.013 -0.43 . . . . 25.0 111.901 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.45 60.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.5 mt -88.21 -13.97 39.73 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 174.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.53 -50.82 4.4 Favored Glycine 0 CA--C 1.517 0.164 0 N-CA-C 108.254 -1.939 . . . . 25.0 108.254 -168.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.6 t80 65.65 171.81 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.989 1.316 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.3 -31.91 3.99 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.03 178.24 15.6 Favored Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.4 38.17 4.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.191 0.995 . . . . 25.0 111.163 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.7 57.11 4.22 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.196 -0.911 . . . . 25.0 115.007 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 58.19 26.19 13.49 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.559 1.688 . . . . 25.0 115.559 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.26 83.55 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 117.739 1.856 . . . . 25.0 117.739 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -121.36 167.66 12.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.085 0.943 . . . . 25.0 109.771 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 38.43 29.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.834 0.854 . . . . 25.0 109.996 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.09 -10.72 25.73 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.172 0.829 . . . . 25.0 115.172 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 p -75.93 172.67 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.794 0.797 . . . . 25.0 109.979 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.72 168.55 9.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.14 152.99 39.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.082 -1.822 . . . . 25.0 106.082 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.51 144.0 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 106.353 -1.721 . . . . 25.0 106.353 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -144.39 148.57 34.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.73 131.79 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.04 39.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.08 -28.68 54.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.483 . . . . 25.0 111.137 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.17 -26.76 65.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.439 0.638 . . . . 25.0 109.853 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.26 -9.51 53.38 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.661 -0.976 . . . . 25.0 110.661 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.25 32.47 10.85 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.221 1.008 . . . . 25.0 111.517 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -132.39 155.91 47.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.672 -0.694 . . . . 25.0 112.684 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.9 t -127.73 108.8 11.05 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 103.696 -2.705 . . . . 25.0 103.696 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -94.4 145.85 24.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 111.704 -2.498 . . . . 25.0 109.498 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -129.85 125.5 35.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.599 -1.259 . . . . 25.0 107.599 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -157.07 167.89 29.1 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 t -118.3 151.45 37.66 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.8 1.97 2.84 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.339 0.866 . . . . 25.0 113.339 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.48 -33.38 74.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.549 0.69 . . . . 25.0 110.467 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.1 p -134.9 140.33 45.69 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -127.28 -73.67 0.6 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.244 -1.344 . . . . 25.0 110.751 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.75 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 18.3 mp0 -76.36 -25.21 54.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.265 -1.334 . . . . 25.0 110.627 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.83 75.05 0.16 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 109.787 -1.325 . . . . 25.0 109.787 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 128.35 35.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.6 p -122.55 165.73 15.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.258 -164.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 154.06 42.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.103 0.478 . . . . 25.0 111.658 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -141.07 130.85 24.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.62 164.15 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.38 131.22 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -79.13 114.01 17.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.18 179.97 21.05 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 106.892 -2.483 . . . . 25.0 106.892 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.3 m120 -120.67 32.0 6.18 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.717 -0.845 . . . . 25.0 108.717 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 15.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.34 -29.64 64.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.206 -1.775 . . . . 25.0 106.206 170.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.21 57.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.387 -0.824 . . . . 25.0 109.254 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.43 41.13 3.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.236 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.56 122.13 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.7 p -161.54 165.06 29.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.32 69.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 25.0 110.765 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.83 -32.12 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.069 -0.394 . . . . 25.0 110.169 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.78 -41.28 45.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.488 . . . . 25.0 112.316 174.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 23.7 mt -129.46 125.2 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -97.36 133.19 42.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -140.18 168.86 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.97 31.38 3.28 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.388 0.614 . . . . 25.0 111.176 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo . . . . . 0 C--O 1.236 0.401 0 N-CA-C 114.089 0.765 . . . . 25.0 114.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.03 132.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 106.536 -1.654 . . . . 25.0 106.536 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -89.58 114.92 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-O 122.996 1.379 . . . . 25.0 107.878 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.47 -137.19 2.63 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 113.003 -1.908 . . . . 25.0 110.236 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -129.02 169.95 14.07 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.357 -0.496 . . . . 25.0 110.146 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.78 2.99 46.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.516 0.674 . . . . 25.0 109.425 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.69 174.95 11.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.86 111.07 4.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.83 127.13 39.41 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.97 95.37 4.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 104.675 -2.342 . . . . 25.0 104.675 166.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -136.4 153.77 51.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -126.24 148.11 49.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.976 0.893 . . . . 25.0 112.131 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.16 -37.18 2.01 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 113.954 -1.476 . . . . 25.0 111.411 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p 48.05 -148.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.254 -0.973 . . . . 25.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.04 -9.14 19.67 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.224 1.935 . . . . 25.0 116.224 -170.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 139.56 57.11 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 174.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.54 48.23 4.0 Favored Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.172 -1.171 . . . . 25.0 110.172 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -151.14 150.3 30.49 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.1 tp10 -140.71 -179.32 5.98 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.203 0.816 . . . . 75.0 113.203 -176.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.505 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -112.52 140.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.716 0.77 . . . . 25.0 113.035 -167.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -111.9 149.34 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 105.092 -2.188 . . . . 25.0 105.092 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.94 69.12 0.06 OUTLIER Glycine 0 N--CA 1.464 0.523 0 C-N-CA 120.058 -1.068 . . . . 25.0 112.98 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.81 0.03 OUTLIER Glycine 0 C--O 1.239 0.447 0 N-CA-C 119.788 2.675 . . . . 25.0 119.788 -168.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.78 -176.64 10.08 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-O 122.78 1.211 . . . . 25.0 114.358 -174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 165.58 5.27 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 116.844 1.498 . . . . 25.0 116.844 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.12 81.57 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.71 150.88 32.42 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 -170.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.07 104.01 7.54 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 104.423 -2.436 . . . . 25.0 104.423 172.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.1 mt -123.72 117.44 24.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 104.81 -2.293 . . . . 25.0 104.81 -170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -103.16 136.08 43.62 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 104.705 -2.332 . . . . 25.0 104.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.29 -4.6 2.23 Favored Glycine 0 C--O 1.214 -1.111 0 C-N-CA 120.415 -0.898 . . . . 25.0 113.73 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 19.51 -104.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 116.559 2.059 . . . . 25.0 116.559 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.62 171.94 54.08 Favored Glycine 0 C--O 1.244 0.733 0 N-CA-C 116.946 1.539 . . . . 25.0 116.946 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.14 164.33 37.21 Favored Glycine 0 C--O 1.247 0.911 0 CA-C-N 114.113 -1.043 . . . . 25.0 113.859 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.0 131.37 10.61 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 105.094 -3.202 . . . . 25.0 105.094 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.68 158.09 45.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.092 0.946 . . . . 50.0 111.335 -165.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -135.96 97.92 3.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.05 132.31 54.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -171.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.29 116.37 19.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 -17.83 71.69 Favored Glycine 0 C--O 1.228 -0.261 0 N-CA-C 116.136 1.214 . . . . 25.0 116.136 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 64.24 -156.63 44.79 Favored Glycine 0 N--CA 1.425 -2.081 0 CA-C-O 125.43 2.683 . . . . 25.0 113.329 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 148.12 37.62 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.333 -3.433 . . . . 25.0 111.857 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.41 29.93 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.585 -1.643 . . . . 25.0 115.112 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -98.54 104.86 16.94 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 104.97 -2.233 . . . . 25.0 104.97 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -111.86 154.12 25.62 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -121.62 110.2 15.7 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.6 mt -121.51 108.11 13.24 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -171.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 146.92 26.01 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.223 0.92 . . . . 25.0 111.903 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.01 17.05 0.81 Allowed Glycine 0 C--O 1.245 0.785 0 N-CA-C 117.602 1.801 . . . . 25.0 117.602 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 4.9 -116.92 0.01 OUTLIER Glycine 0 N--CA 1.465 0.586 0 N-CA-C 122.152 3.621 . . . . 25.0 122.152 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.31 145.99 54.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.593 -1.303 . . . . 25.0 109.854 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.77 162.63 26.93 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.758 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.91 73.7 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 153.64 42.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.323 -1.762 . . . . 50.0 108.136 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.3 m -118.16 95.96 5.12 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 169.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -88.92 124.12 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 103.271 -2.863 . . . . 25.0 103.271 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -121.08 140.31 52.14 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.177 -165.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -118.99 101.07 7.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.825 -1.08 . . . . 25.0 110.778 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 1.71 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.231 -2.507 . . . . 25.0 104.231 162.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.6 91.05 8.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.29 -176.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -85.48 -71.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -72.1 -16.68 62.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -75.99 -8.75 57.67 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-N 114.233 -1.349 . . . . 25.0 112.279 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.22 33.8 4.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.617 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -102.15 166.23 10.72 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.462 0.912 . . . . 25.0 113.462 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.24 156.83 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.67 167.6 26.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.772 -2.307 . . . . 25.0 104.772 171.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.25 65.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.26 -6.2 50.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.792 0.806 . . . . 25.0 111.976 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.77 148.94 4.85 Favored Glycine 0 C--N 1.316 -0.542 0 CA-C-N 115.001 -0.999 . . . . 25.0 113.375 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -118.95 143.04 47.25 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -125.56 92.41 3.6 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 p -121.79 177.76 5.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.29 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.91 110.76 15.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.22 104.49 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.63 125.86 40.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -101.52 165.51 11.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 22.66 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.588 2.07 . . . . 25.0 116.588 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -144.09 37.29 1.27 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.821 -1.536 . . . . 25.0 114.841 -169.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -137.34 68.94 54.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 117.485 2.402 . . . . 25.0 117.485 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.39 20.9 1.12 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 N-CA-C 110.0 -0.808 . . . . 25.0 110.0 163.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.09 4.52 0.44 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.872 1.669 . . . . 25.0 114.699 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -142.11 51.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.842 0.857 . . . . 25.0 109.116 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.13 154.09 22.22 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 104.466 -2.42 . . . . 50.0 104.466 172.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -111.08 131.6 54.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.085 0.945 . . . . 25.0 112.767 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -119.09 130.93 55.85 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -119.64 117.36 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -123.43 13.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.0 p -66.72 -29.14 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.999 -0.438 . . . . 25.0 111.85 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.08 -13.97 62.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.13 -14.35 38.95 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.93 -50.88 4.23 Favored Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 108.196 -1.962 . . . . 25.0 108.196 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.6 t80 65.48 171.45 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.931 1.292 . . . . 25.0 109.701 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 p -119.94 -31.33 4.5 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.37 -179.88 16.7 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 109.153 -1.579 . . . . 25.0 109.153 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -123.01 41.14 3.54 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.181 0.991 . . . . 25.0 111.489 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.91 55.44 4.52 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-N 115.415 -0.811 . . . . 25.0 114.578 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.52 28.31 16.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.57 7.35 84.61 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 117.873 1.909 . . . . 25.0 117.873 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -124.7 168.67 12.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.767 0.783 . . . . 25.0 109.693 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.04 37.98 26.62 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.886 0.874 . . . . 25.0 109.527 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.11 -12.84 16.89 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 115.269 0.868 . . . . 25.0 115.269 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -74.84 172.3 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.036 -0.685 . . . . 25.0 110.489 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.35 169.41 8.5 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.77 152.84 43.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.49 143.95 21.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.25 129.88 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -120.88 124.31 44.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -75.15 -24.84 58.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.93 -26.71 66.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.557 0.694 . . . . 25.0 109.698 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.51 -9.85 49.2 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.48 -1.048 . . . . 25.0 110.48 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.3 32.13 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.084 0.953 . . . . 25.0 111.239 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -131.61 153.69 49.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.762 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.9 t -123.92 106.02 10.09 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.139 -2.541 . . . . 25.0 104.139 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.26 145.27 24.8 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 111.47 -2.605 . . . . 25.0 109.156 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.97 126.5 37.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -157.66 166.79 31.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 t -115.36 153.15 31.52 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 103.007 -2.96 . . . . 25.0 103.007 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.88 1.05 2.73 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.1 -34.18 77.06 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.522 0.677 . . . . 25.0 110.6 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.2 p -134.46 138.65 44.92 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -177.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.94 -71.58 0.73 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.177 -1.374 . . . . 25.0 112.748 -176.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.03 -34.36 14.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 3.3 mp0 -68.48 -28.84 67.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.078 -1.419 . . . . 25.0 110.45 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.39 70.88 0.3 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.361 -2.296 . . . . 25.0 107.361 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 122.69 17.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.414 1.102 . . . . 25.0 108.462 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.5 p -120.0 166.06 13.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 112.876 -1.965 . . . . 25.0 110.413 -160.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -68.59 151.25 47.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -142.28 128.57 19.92 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 170.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.36 164.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.643 -1.614 . . . . 25.0 106.643 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -145.17 147.19 32.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.0 130.57 39.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.29 113.63 17.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.32 179.49 21.65 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -120.96 33.41 5.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 -177.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 17.13 0.06 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.7 -30.09 65.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 170.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.1 57.24 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.332 -0.849 . . . . 25.0 109.477 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.97 41.72 3.42 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.224 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.53 122.32 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.0 p -161.34 165.08 29.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.052 0.453 . . . . 25.0 110.836 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -72.79 -31.31 64.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.006 -0.434 . . . . 25.0 110.191 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.73 -41.62 44.37 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.085 0.402 . . . . 25.0 111.998 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.2 mt -129.48 124.64 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -176.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.4 tp -95.91 133.0 40.62 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -139.18 168.79 19.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.72 31.56 3.35 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.386 0.612 . . . . 25.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.233 0.266 0 N-CA-C 114.14 0.785 . . . . 25.0 114.14 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.31 126.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -87.95 112.27 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-O 122.839 1.304 . . . . 25.0 108.196 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.26 2.1 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.387 -1.733 . . . . 25.0 109.572 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -136.04 175.13 9.88 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.987 -0.713 . . . . 25.0 110.215 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -87.23 3.66 45.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 172.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 tp -79.25 170.75 16.16 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 114.819 -1.082 . . . . 25.0 108.162 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 100.32 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.268 1.027 . . . . 25.0 108.461 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.35 121.53 31.7 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 109.425 -0.583 . . . . 50.0 109.425 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.76 95.27 5.39 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 165.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -134.51 153.62 51.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.472 -1.306 . . . . 25.0 107.472 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -128.07 149.15 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.859 0.838 . . . . 25.0 112.072 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -107.11 -40.97 1.73 Allowed Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.344 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 p 46.05 -142.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.965 -1.118 . . . . 25.0 111.323 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.91 -12.8 12.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.672 2.101 . . . . 25.0 116.672 -170.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 138.79 58.36 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 43.25 3.23 Favored Glycine 0 C--O 1.217 -0.931 0 N-CA-C 110.311 -1.116 . . . . 25.0 110.311 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.79 143.49 28.68 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -141.1 153.72 45.56 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 115.511 1.671 . . . . 75.0 115.511 -172.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -86.11 141.0 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 113.374 -1.739 . . . . 25.0 112.497 -164.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -116.95 150.97 37.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.215 1.806 . . . . 25.0 106.195 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 78.5 0.05 OUTLIER Glycine 0 N--CA 1.465 0.58 0 C-N-CA 119.799 -1.191 . . . . 25.0 114.388 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -35.73 -76.08 0.06 OUTLIER Glycine 0 N--CA 1.459 0.174 0 N-CA-C 120.634 3.014 . . . . 25.0 120.634 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -174.77 9.49 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 115.564 0.985 . . . . 25.0 115.564 -172.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.38 167.8 6.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 116.105 1.202 . . . . 25.0 116.105 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 81.26 5.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.79 148.9 38.1 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.074 -0.966 . . . . 50.0 113.164 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -129.57 104.09 7.25 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.78 117.88 24.36 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 -170.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.2 136.42 47.89 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.37 -8.66 2.23 Favored Glycine 0 C--O 1.206 -1.618 0 N-CA-C 115.429 0.932 . . . . 25.0 115.429 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 19.87 -99.3 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 119.104 3.002 . . . . 25.0 119.104 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.9 54.64 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 115.996 1.158 . . . . 25.0 115.996 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.4 167.9 32.3 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.522 -0.631 . . . . 25.0 111.522 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.16 133.45 14.12 Favored Glycine 0 C--N 1.315 -0.59 0 N-CA-C 107.615 -2.194 . . . . 25.0 107.615 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -128.17 153.85 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.47 0.635 . . . . 50.0 110.614 -169.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.6 mt -138.76 98.01 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.39 140.2 53.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -167.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -141.53 159.87 41.33 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.66 33.19 1.08 Allowed Glycine 0 C--O 1.219 -0.806 0 C-N-CA 120.081 -1.057 . . . . 25.0 113.759 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.66 -129.71 0.01 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.816 3.086 . . . . 25.0 120.816 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 147.93 52.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.068 -2.066 . . . . 25.0 112.092 -174.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.4 -173.01 23.62 Favored Glycine 0 C--N 1.313 -0.695 0 CA-C-N 113.68 -1.6 . . . . 25.0 115.231 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -102.35 109.45 21.11 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 103.765 -2.679 . . . . 25.0 103.765 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -117.8 157.64 26.22 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.844 1.424 . . . . 50.0 114.844 -168.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -124.93 107.58 11.01 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -120.77 109.8 15.6 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.662 -0.209 . . . . 25.0 110.806 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.1 31.19 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 121.332 -0.855 . . . . 25.0 111.125 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.63 -6.98 1.26 Allowed Glycine 0 N--CA 1.462 0.412 0 N-CA-C 117.044 1.577 . . . . 25.0 117.044 -174.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.28 -125.24 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 125.162 2.534 . . . . 25.0 119.058 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.5 144.84 35.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.832 -3.184 . . . . 25.0 111.695 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.7 162.09 37.94 Favored Glycine 0 C--O 1.244 0.722 0 N-CA-C 115.862 1.105 . . . . 25.0 115.862 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 69.01 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.25 -1.389 . . . . 25.0 107.25 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -68.13 158.92 32.03 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.25 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 m -118.37 96.41 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.774 0.797 . . . . 25.0 108.905 174.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -83.99 138.97 32.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -124.88 136.44 53.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.539 0.685 . . . . 25.0 111.962 -168.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -122.02 98.6 6.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.938 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.7 3.51 39.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 164.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 92.87 8.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.336 -1.302 . . . . 25.0 110.858 -175.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -86.45 -73.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.559 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -69.94 -19.15 63.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.715 1.245 . . . . 25.0 108.065 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -75.41 -10.3 59.33 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 114.232 -1.349 . . . . 25.0 112.233 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.43 37.7 3.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.643 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -102.76 163.81 12.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.469 0.652 . . . . 25.0 112.638 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.57 152.75 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -150.81 159.1 44.76 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 99.45 -4.278 . . . . 25.0 99.45 168.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.43 74.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.875 0.761 . . . . 25.0 109.768 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.57 2.39 48.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.03 84.73 0.07 OUTLIER Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.882 -0.675 . . . . 25.0 114.019 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -102.8 121.86 43.34 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.564 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -126.01 92.31 3.56 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 p -121.81 173.55 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.015 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.96 112.37 19.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.66 105.43 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.44 125.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.05 165.62 11.06 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 21.92 79.28 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.937 2.199 . . . . 25.0 116.937 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.17 39.55 1.45 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.408 -171.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -136.56 69.41 60.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 117.475 2.398 . . . . 25.0 117.475 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.69 20.28 1.21 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 N-CA-C 110.072 -0.78 . . . . 25.0 110.072 163.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.3 p 58.42 5.41 0.44 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.832 1.653 . . . . 25.0 114.742 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.95 26.66 3.29 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.239 0.616 . . . . 25.0 111.241 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.38 154.47 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -111.83 132.41 54.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.866 0.841 . . . . 25.0 112.214 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.85 120.34 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -100.46 118.16 36.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.449 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.57 12.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -69.57 -23.73 63.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.892 -0.505 . . . . 25.0 110.987 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.54 -18.2 63.64 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.6 0.238 . . . . 25.0 111.196 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.82 -14.02 35.33 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.37 -48.8 4.12 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.922 -1.671 . . . . 25.0 108.922 -167.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 t80 68.85 167.57 0.28 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.553 1.541 . . . . 25.0 109.539 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -113.85 -33.51 5.75 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.01 178.97 15.89 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.042 -1.623 . . . . 25.0 109.042 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 tp -122.23 42.81 3.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.073 0.94 . . . . 25.0 111.098 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.45 56.39 4.43 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.299 -0.864 . . . . 25.0 114.189 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 57.5 27.69 14.41 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.73 8.6 84.27 Favored Glycine 0 C--O 1.229 -0.16 0 N-CA-C 117.704 1.842 . . . . 25.0 117.704 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -121.42 167.58 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.1 0.95 . . . . 25.0 110.002 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.1 38.29 29.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.837 0.855 . . . . 25.0 110.097 -175.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.01 -9.25 32.89 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 115.124 0.81 . . . . 25.0 115.124 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 p -76.85 170.9 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.785 0.793 . . . . 25.0 109.824 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.75 170.4 7.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.84 152.81 47.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.62 144.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 t -145.06 147.32 32.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.99 129.58 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -120.46 127.47 52.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -74.01 -26.7 60.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -67.67 -26.32 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.621 0.724 . . . . 25.0 109.996 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.57 -12.25 45.0 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.825 -0.91 . . . . 25.0 110.825 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 52.22 32.75 11.23 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.207 1.003 . . . . 25.0 110.746 -176.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -132.09 154.37 49.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.187 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -125.76 106.27 9.57 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -90.71 144.49 25.69 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 111.622 -2.536 . . . . 25.0 109.148 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.49 125.82 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.81 167.55 29.7 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -115.31 151.27 34.88 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.648 -3.093 . . . . 25.0 102.648 173.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.71 4.98 3.37 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.626 -0.715 . . . . 25.0 112.822 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.21 -34.02 77.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.527 0.68 . . . . 25.0 110.784 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.9 p -138.51 140.62 39.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -114.45 -74.08 0.63 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.81 -1.086 . . . . 25.0 113.358 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.2 13.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.213 1.006 . . . . 25.0 108.967 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.636 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.7 mp0 -68.22 -30.61 69.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.967 -1.47 . . . . 25.0 110.807 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.07 67.97 0.44 Allowed Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 105.521 -3.032 . . . . 25.0 105.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 115.41 5.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.215 1.483 . . . . 25.0 109.722 -173.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.1 p -104.97 -179.54 3.97 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 111.629 -2.532 . . . . 25.0 109.622 -163.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -91.35 153.91 19.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -175.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -145.49 130.77 18.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.588 . . . . 25.0 109.814 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -141.97 166.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.8 149.72 35.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.05 131.14 40.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.08 113.3 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.97 23.5 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 106.754 -2.539 . . . . 25.0 106.754 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.2 m120 -120.36 31.54 6.42 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 16.09 0.08 Allowed 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -174.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 106.385 -1.709 . . . . 25.0 106.385 171.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.03 -6.28 55.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.608 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -127.49 42.23 3.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.371 0.605 . . . . 25.0 110.014 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.96 124.84 37.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 86.4 p -165.72 173.03 11.15 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.51 -20.81 66.5 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.044 0.45 . . . . 25.0 110.926 176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.57 -36.18 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.8 -39.55 14.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.476 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 20.7 mm -114.49 128.75 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -173.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.8 tp -99.9 126.55 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.717 -1.586 . . . . 25.0 106.717 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.14 168.09 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.84 32.21 3.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.256 0.551 . . . . 25.0 111.427 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.587 -0.153 . . . . 25.0 110.587 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.65 -15.22 46.88 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.842 -1.639 . . . . 25.0 114.15 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -41.17 63.96 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.251 -0.277 . . . . 25.0 110.251 174.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.49 138.04 6.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.072 -1.085 . . . . 25.0 108.072 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -110.92 23.48 14.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.17 40.92 31.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.001 -1.0 . . . . 25.0 111.284 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.27 126.11 88.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -61.03 145.33 99.21 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 115.03 -2.847 . . . . 25.0 113.583 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mt -82.41 124.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.02 113.37 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 123.117 1.437 . . . . 25.0 107.674 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.14 2.26 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 112.984 -1.917 . . . . 25.0 110.606 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -132.2 174.31 10.35 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.215 -0.579 . . . . 25.0 110.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.65 4.64 46.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.743 0.782 . . . . 25.0 109.279 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.46 172.41 13.83 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 114.853 -1.067 . . . . 25.0 108.256 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.64 100.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.865 -1.531 . . . . 25.0 106.865 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -87.98 120.75 29.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -111.7 95.15 5.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 166.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -136.68 153.9 50.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -127.57 148.62 50.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.924 0.868 . . . . 25.0 112.11 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.27 -40.75 2.73 Favored Glycine 0 CA--C 1.506 -0.514 0 CA-C-N 113.765 -1.561 . . . . 25.0 110.631 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p 46.32 -144.92 0.23 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.121 -1.039 . . . . 25.0 110.53 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.58 -11.26 10.51 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.758 2.133 . . . . 25.0 116.758 -170.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -61.08 139.44 58.08 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.63 42.76 2.97 Favored Glycine 0 C--O 1.221 -0.664 0 N-CA-C 109.694 -1.363 . . . . 25.0 109.694 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 23' ' ' LEU . 29.5 tt0 -147.18 149.78 33.63 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 -177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.268 3.2 tp10 -140.76 156.45 46.17 Favored 'General case' 0 C--O 1.203 -1.357 0 N-CA-C 115.065 1.506 . . . . 75.0 115.065 -171.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.42 139.58 20.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 124.696 1.198 . . . . 25.0 108.822 -164.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -117.53 146.76 43.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 78.0 0.08 OUTLIER Glycine 0 N--CA 1.462 0.397 0 C-N-CA 119.631 -1.271 . . . . 25.0 114.489 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -31.35 -77.5 0.03 OUTLIER Glycine 0 C--O 1.236 0.24 0 N-CA-C 119.823 2.689 . . . . 25.0 119.823 -169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.54 -177.22 13.06 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-O 122.618 1.121 . . . . 25.0 114.036 -174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.54 165.01 5.46 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.525 1.37 . . . . 25.0 116.525 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.37 81.62 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.2 151.9 36.77 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.413 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -129.04 103.99 7.31 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -126.65 120.84 30.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.3 136.12 49.98 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 105.99 -1.855 . . . . 25.0 105.99 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.69 -8.04 4.03 Favored Glycine 0 C--O 1.212 -1.229 0 N-CA-C 115.356 0.902 . . . . 25.0 115.356 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 18.13 -97.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 119.253 3.057 . . . . 25.0 119.253 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 167.77 54.83 Favored Glycine 0 N--CA 1.465 0.629 0 O-C-N 120.822 -1.174 . . . . 25.0 115.586 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.72 165.56 22.34 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-O 121.797 0.665 . . . . 25.0 112.702 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.48 136.07 17.73 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 106.492 -2.643 . . . . 25.0 106.492 171.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -127.71 152.89 47.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.513 1.157 . . . . 50.0 109.06 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 95.9 mt -136.87 97.96 3.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -122.56 132.73 54.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -167.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 116.85 25.03 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.751 -1.113 . . . . 25.0 108.486 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.45 -22.43 54.01 Favored Glycine 0 N--CA 1.463 0.482 0 N-CA-C 116.782 1.473 . . . . 25.0 116.782 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.47 -159.35 38.1 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.42 2.678 . . . . 25.0 114.302 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.17 151.84 21.85 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 109.337 -3.431 . . . . 25.0 112.419 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.49 -174.68 35.21 Favored Glycine 0 C--N 1.312 -0.756 0 CA-C-N 113.428 -1.715 . . . . 25.0 113.107 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -104.88 107.79 18.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -110.12 156.67 20.28 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.999 -167.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -119.62 108.59 14.65 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.0 mt -120.68 108.7 14.33 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.037 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.47 140.41 37.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.283 -0.886 . . . . 25.0 109.549 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.35 -21.58 2.01 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 115.891 1.116 . . . . 25.0 115.891 -175.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.25 -130.39 41.15 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-O 126.116 3.065 . . . . 25.0 116.635 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -63.27 151.14 41.42 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 108.774 -3.713 . . . . 25.0 110.554 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 161.6 37.44 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 115.513 0.965 . . . . 25.0 115.513 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.58 68.68 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.935 -1.506 . . . . 25.0 106.935 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -68.61 154.19 42.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.645 -1.616 . . . . 50.0 109.229 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.0 m -114.97 101.66 9.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -97.73 124.09 41.93 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.534 -3.136 . . . . 25.0 102.534 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -127.94 149.94 50.11 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.701 0.762 . . . . 25.0 112.044 -165.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -121.57 103.13 8.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.567 -1.197 . . . . 25.0 112.795 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.46 2.15 36.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.272 -2.492 . . . . 25.0 104.272 160.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.407 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -90.58 91.11 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.119 -1.4 . . . . 25.0 110.816 -175.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -86.76 -72.04 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' HH21 ' A' ' 134' ' ' ARG . 14.7 mp0 -71.29 -17.09 62.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -73.8 -8.25 55.33 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 114.3 -1.318 . . . . 25.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -131.98 38.31 3.53 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.707 -0.679 . . . . 25.0 110.566 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 16.7 pt20 -102.6 163.63 12.11 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -135.98 156.71 48.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -178.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.7 p -150.96 167.72 26.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.268 -1.753 . . . . 25.0 106.268 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.78 -26.15 67.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.68 53.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 25.0 112.48 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.99 154.81 6.31 Favored Glycine 0 C--N 1.316 -0.575 0 CA-C-N 115.287 -0.869 . . . . 25.0 113.393 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 7.4 p -118.72 143.17 47.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.45 -0.441 . . . . 25.0 109.996 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -125.95 91.99 3.5 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 103.955 -2.609 . . . . 25.0 103.955 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 p -122.83 -179.59 4.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.353 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.23 109.66 15.66 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.32 104.27 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.27 125.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.67 165.99 10.93 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 22.32 80.16 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 117.183 2.29 . . . . 25.0 117.183 -175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.39 42.31 1.63 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 114.984 1.475 . . . . 25.0 114.984 -171.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -141.2 71.07 27.77 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 118.207 2.669 . . . . 25.0 118.207 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.62 21.26 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 N-CA-C 110.376 -0.663 . . . . 25.0 110.376 163.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.8 p 58.97 4.18 0.39 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.849 1.66 . . . . 25.0 114.974 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -136.59 29.81 2.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.335 0.654 . . . . 25.0 110.739 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.81 156.36 20.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.848 -1.538 . . . . 50.0 106.848 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -111.03 132.55 54.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.328 1.061 . . . . 25.0 112.064 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.35 122.89 27.15 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.758 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.75 15.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -65.22 -30.77 71.68 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.081 -0.387 . . . . 25.0 111.944 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.47 -14.01 61.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.13 -13.71 37.86 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.02 -51.11 4.25 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 109.339 -1.504 . . . . 25.0 109.339 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 21.4 t80 72.24 125.53 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.702 1.601 . . . . 25.0 110.149 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.0 p -78.55 -24.82 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.72 178.22 15.63 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 110.228 -1.149 . . . . 25.0 110.228 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.72 34.84 4.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.025 0.917 . . . . 25.0 110.162 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.58 57.34 4.48 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.363 -0.835 . . . . 25.0 114.487 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 56.67 26.9 11.81 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.163 1.542 . . . . 25.0 115.163 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 6.36 86.48 Favored Glycine 0 C--O 1.229 -0.179 0 N-CA-C 117.342 1.697 . . . . 25.0 117.342 171.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -117.46 167.53 11.2 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.184 0.992 . . . . 25.0 109.889 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.16 37.86 28.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.894 0.878 . . . . 25.0 110.287 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.17 -8.6 30.71 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 115.438 0.935 . . . . 25.0 115.438 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 p -77.06 172.8 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.583 0.691 . . . . 25.0 109.939 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.15 168.68 8.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.95 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.13 140.51 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -146.21 153.02 40.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.67 132.89 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.324 -1.361 . . . . 25.0 107.324 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.02 122.23 39.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.94 -27.05 49.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 25.0 111.278 -175.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.04 -26.57 65.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.388 0.613 . . . . 25.0 109.583 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.75 -10.01 51.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.758 -0.937 . . . . 25.0 110.758 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.71 32.12 11.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.107 0.963 . . . . 25.0 111.165 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.63 153.32 50.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.83 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -122.89 106.34 10.79 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.196 -2.52 . . . . 25.0 104.196 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.39 141.04 29.14 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 111.51 -2.586 . . . . 25.0 108.845 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.77 121.43 30.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 174.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -157.95 170.43 22.35 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.8 t -119.69 155.7 31.9 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 103.489 -2.782 . . . . 25.0 103.489 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.13 2.51 1.71 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.01 -33.92 76.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.512 0.672 . . . . 25.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.7 p -135.21 137.07 42.28 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -130.19 -73.09 0.56 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.994 -1.457 . . . . 25.0 109.799 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.82 -28.84 50.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.4 mp0 -78.78 -22.21 46.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.319 -1.309 . . . . 25.0 111.449 -175.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.2 84.47 0.07 OUTLIER Glycine 0 C--O 1.22 -0.769 0 N-CA-C 106.642 -2.583 . . . . 25.0 106.642 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.464 HH21 ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.23 127.93 33.6 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.848 1.308 . . . . 25.0 109.614 -172.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.34 165.96 12.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 112.438 -2.165 . . . . 25.0 110.251 -164.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 50.2 m-85 -90.87 154.51 19.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.856 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.81 130.5 16.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.005 0.522 . . . . 25.0 110.793 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.29 163.79 30.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.2 144.64 31.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tt -135.0 129.85 34.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -79.5 111.21 15.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.41 177.07 22.39 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 107.152 -2.379 . . . . 25.0 107.152 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -119.73 26.31 9.43 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 13.21 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -73.72 -28.43 61.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 170.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.08 60.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.38 36.8 3.78 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 118.07 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 99.2 p -160.16 164.22 33.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.71 68.54 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.223 0.535 . . . . 25.0 110.842 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.58 -33.09 68.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.953 -0.467 . . . . 25.0 110.21 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.68 -41.65 44.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.8 mt -129.1 121.3 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.878 -0.514 . . . . 25.0 112.147 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.9 tp -93.58 134.02 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -141.14 171.02 14.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.12 31.31 2.68 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.319 0.58 . . . . 25.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.62 150.61 88.97 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.34 -3.08 12.26 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 114.478 0.914 . . . . 25.0 114.478 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 8.2 p -128.82 136.38 29.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.0 153.54 72.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 115.868 -2.288 . . . . 25.0 112.352 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.711 -1.614 . . . . 25.0 107.859 -178.781 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.57 -14.22 41.49 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 116.519 -1.854 . . . . 25.0 113.982 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -49.28 27.29 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.48 -0.193 . . . . 25.0 110.48 175.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.45 151.82 13.69 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.88 26.92 4.3 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.62 23.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 25.0 112.785 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -64.37 129.76 94.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.831 -0.804 . . . . 25.0 108.831 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.09 139.62 61.86 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 115.137 -2.775 . . . . 25.0 112.885 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.07 130.75 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 105.484 -2.043 . . . . 25.0 105.484 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.25 109.89 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 122.874 1.321 . . . . 25.0 108.324 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.08 -136.76 2.78 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 113.32 -1.764 . . . . 25.0 109.969 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.5 t -132.3 170.23 15.35 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.267 -0.549 . . . . 25.0 110.746 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.82 4.38 44.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.507 0.67 . . . . 25.0 109.331 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 tp -81.85 175.47 10.39 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.72 110.81 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 173.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -95.96 123.66 39.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -116.35 94.99 4.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 165.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.9 mt -136.45 154.03 50.89 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 -173.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.91 148.91 52.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.804 0.811 . . . . 25.0 112.645 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -99.95 -39.74 3.26 Favored Glycine 0 CA--C 1.492 -1.354 0 CA-C-N 114.175 -1.375 . . . . 25.0 112.017 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 p 44.9 -142.58 0.22 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 113.591 -1.305 . . . . 25.0 110.694 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -14.52 35.84 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 116.787 2.143 . . . . 25.0 116.787 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.33 140.31 58.02 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.75 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.91 51.73 4.6 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 108.919 -1.672 . . . . 25.0 108.919 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -151.86 144.82 24.47 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 103.933 -2.618 . . . . 25.0 103.933 -175.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -141.05 -179.56 6.16 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 112.516 0.562 . . . . 75.0 112.516 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.526 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.2 mp -113.35 141.42 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -114.21 149.72 35.36 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.14 74.92 0.05 OUTLIER Glycine 0 N--CA 1.465 0.631 0 C-N-CA 119.901 -1.142 . . . . 25.0 113.613 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.05 -74.88 0.06 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.226 2.851 . . . . 25.0 120.226 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.24 -175.93 10.26 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-O 122.56 1.089 . . . . 25.0 114.908 -173.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 169.29 8.75 Favored Glycine 0 C--N 1.313 -0.746 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.91 82.23 4.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.48 149.47 35.02 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -171.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.28 104.45 7.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.76 120.29 28.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 -171.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -112.16 136.04 52.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.51 -5.84 3.55 Favored Glycine 0 C--O 1.21 -1.396 0 N-CA-C 116.577 1.391 . . . . 25.0 116.577 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 18.42 -96.4 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 118.157 2.651 . . . . 25.0 118.157 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.78 166.54 53.19 Favored Glycine 0 C--O 1.257 1.535 0 CA-C-O 122.725 1.181 . . . . 25.0 115.242 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.46 166.76 35.21 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.22 -0.99 . . . . 25.0 111.073 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.11 130.86 10.45 Favored Glycine 0 C--N 1.316 -0.552 0 N-CA-C 106.918 -2.473 . . . . 25.0 106.918 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -124.34 157.33 35.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.945 0.373 . . . . 50.0 111.464 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.88 98.55 3.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.15 143.01 50.74 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.66 161.41 39.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.85 34.24 1.24 Allowed Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.208 -0.996 . . . . 25.0 114.01 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 17.44 -126.04 0.01 OUTLIER Glycine 0 CA--C 1.509 -0.313 0 N-CA-C 119.816 2.686 . . . . 25.0 119.816 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 146.25 55.18 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.743 -1.729 . . . . 25.0 113.329 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 -171.94 22.88 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-N 113.559 -1.655 . . . . 25.0 116.806 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -99.89 111.55 23.86 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 102.127 -3.286 . . . . 25.0 102.127 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -121.37 158.78 27.52 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.974 -1.012 . . . . 50.0 113.381 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -123.31 106.05 10.37 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.3 mt -120.56 106.79 12.12 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 110.506 -0.183 . . . . 25.0 110.506 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.7 142.43 34.36 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.407 -0.808 . . . . 25.0 110.283 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.17 -21.93 1.61 Allowed Glycine 0 C--O 1.224 -0.497 0 N-CA-C 115.744 1.058 . . . . 25.0 115.744 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.87 -131.9 50.05 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-O 126.206 3.115 . . . . 25.0 116.588 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.3 147.22 48.83 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 108.46 -3.87 . . . . 25.0 110.28 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 164.4 40.12 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 115.865 1.106 . . . . 25.0 115.865 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.32 67.44 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.779 1.232 . . . . 25.0 107.859 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -68.31 153.29 44.04 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.934 -1.485 . . . . 50.0 109.38 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.1 m -112.03 111.28 22.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.504 0.668 . . . . 25.0 109.279 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -103.98 127.96 51.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.933 -2.247 . . . . 25.0 104.933 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -114.46 138.23 50.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.373 0.606 . . . . 25.0 112.041 -169.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.59 102.29 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.833 . . . . 25.0 112.447 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.47 4.82 30.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 164.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.33 85.01 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.039 -1.437 . . . . 25.0 112.059 -171.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -84.39 -68.4 0.72 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.902 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -68.7 -23.01 64.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.565 1.174 . . . . 25.0 108.815 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.19 -6.33 47.13 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.269 -1.332 . . . . 25.0 111.458 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -141.18 48.52 1.67 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 23.2 pt20 -102.79 160.76 14.31 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.46 151.87 50.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.338 -0.846 . . . . 25.0 113.266 -176.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.88 169.34 21.96 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.132 -1.803 . . . . 25.0 106.132 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.32 -25.53 66.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.13 -4.8 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 25.0 112.072 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.4 151.09 5.34 Favored Glycine 0 C--N 1.317 -0.482 0 CA-C-N 115.137 -0.938 . . . . 25.0 113.956 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.8 t -118.45 136.8 53.58 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -125.41 92.27 3.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -128.27 164.84 21.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.75 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.67 118.11 30.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 50.0 109.67 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.81 105.09 17.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -81.87 124.45 39.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.2 mt -100.99 165.99 11.04 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 22.41 80.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -140.79 43.18 1.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -139.59 69.86 38.21 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -87.22 20.95 1.12 Allowed 'Trans proline' 0 CA--C 1.541 0.859 0 N-CA-C 110.221 -0.723 . . . . 25.0 110.221 163.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 58.99 4.2 0.39 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.788 1.635 . . . . 25.0 115.044 -171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -138.62 34.0 2.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.388 0.675 . . . . 25.0 110.698 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.59 19.97 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.575 -1.268 . . . . 50.0 107.575 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 127.26 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.233 1.016 . . . . 25.0 112.988 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.2 tp -121.85 128.32 51.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -112.99 114.36 26.79 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.444 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.11 14.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -68.02 -25.74 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.953 -0.467 . . . . 25.0 110.535 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.58 -9.07 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.11 -12.43 41.15 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.596 -1.261 . . . . 25.0 107.596 170.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.68 -51.69 4.5 Favored Glycine 0 C--O 1.228 -0.241 0 N-CA-C 108.808 -1.717 . . . . 25.0 108.808 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 71.32 157.36 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.349 1.459 . . . . 25.0 109.071 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.1 p -119.65 -16.64 8.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 -172.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 176.05 14.25 Favored Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 108.146 -1.982 . . . . 25.0 108.146 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.59 29.64 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.074 0.937 . . . . 25.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.45 60.44 2.82 Favored Glycine 0 C--O 1.225 -0.423 0 N-CA-C 115.574 0.99 . . . . 25.0 115.574 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.02 27.11 14.35 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.0 84.72 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 168.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.97 168.22 12.6 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.831 0.816 . . . . 25.0 109.514 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.58 38.27 27.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.845 0.858 . . . . 25.0 109.719 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.0 16.37 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 115.284 0.874 . . . . 25.0 115.284 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -72.0 172.5 9.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.74 0.77 . . . . 25.0 110.626 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.05 169.44 8.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.02 152.92 39.26 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.513 -2.032 . . . . 25.0 105.513 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.02 140.12 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -148.33 148.88 30.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.94 128.8 63.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -121.05 125.9 48.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.34 -22.82 57.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -66.84 -26.87 67.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 109.939 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.42 -9.79 37.66 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.98 34.81 14.51 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.259 1.028 . . . . 25.0 110.435 -175.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -130.24 153.7 48.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.01 -0.996 . . . . 25.0 112.519 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -126.15 108.54 11.42 Favored 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 103.576 -2.749 . . . . 25.0 103.576 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -93.33 143.86 25.87 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 111.62 -2.536 . . . . 25.0 109.215 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -127.81 121.12 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.01 165.06 36.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 -177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 t -115.26 151.12 35.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 103.314 -2.847 . . . . 25.0 103.314 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.66 2.05 3.42 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.68 -33.35 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.437 0.637 . . . . 25.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.3 p -132.06 132.48 43.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -126.13 -75.51 0.59 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.06 -1.427 . . . . 25.0 110.17 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.02 55.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.9 mp0 -76.83 -22.27 53.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.213 -1.358 . . . . 25.0 110.958 -176.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.2 79.24 0.08 OUTLIER Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.479 -1.448 . . . . 25.0 109.479 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 120.38 11.79 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 122.528 1.156 . . . . 25.0 109.602 -175.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.31 165.91 11.97 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.203 -1.817 . . . . 25.0 109.91 -167.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 51.6 p90 -90.3 152.99 20.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -146.75 140.99 26.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.98 161.84 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.8 t -138.39 143.51 39.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.03 126.8 29.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -78.45 112.3 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.24 174.85 21.81 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 106.97 -2.452 . . . . 25.0 106.97 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.6 m120 -118.17 30.12 7.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 17.78 0.06 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.08 -30.38 65.07 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.864 -1.902 . . . . 25.0 105.864 169.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.05 59.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.36 -0.836 . . . . 25.0 109.477 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.86 3.4 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.986 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.2 116.64 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -158.42 165.65 34.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.56 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.269 0.557 . . . . 25.0 110.724 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.88 -33.52 70.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.005 -0.434 . . . . 25.0 110.023 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.61 -41.09 47.36 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.39 124.62 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.613 -0.679 . . . . 25.0 112.504 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.4 tp -95.97 132.38 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -146.15 168.13 21.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.41 29.82 2.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.562 0.696 . . . . 25.0 110.251 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.54 145.6 85.08 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.686 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -74.0 -6.19 18.16 Favored 'Trans proline' 0 C--N 1.352 0.762 0 N-CA-C 114.508 0.926 . . . . 25.0 114.508 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 14.7 p -128.47 142.42 44.7 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 103.835 -2.654 . . . . 25.0 103.835 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.15 174.86 7.38 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 115.748 -2.368 . . . . 25.0 114.997 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.932 -1.509 . . . . 25.0 107.402 177.506 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.83 -14.81 42.59 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 116.109 -2.127 . . . . 25.0 113.974 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -48.76 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.557 0.218 . . . . 25.0 110.656 175.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.31 155.11 19.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.85 29.67 5.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.94 40.95 30.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.683 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -71.37 120.99 82.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.05 146.76 96.06 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 114.843 -2.971 . . . . 25.0 114.856 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -81.99 132.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.62 114.6 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-O 123.214 1.483 . . . . 25.0 108.084 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -136.43 2.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 112.653 -2.067 . . . . 25.0 110.554 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -127.0 168.13 14.97 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.275 -0.544 . . . . 25.0 110.694 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.47 2.75 49.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.464 0.65 . . . . 25.0 109.556 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.13 174.66 11.38 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -67.78 111.21 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.64 126.04 39.68 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.148 -1.056 . . . . 50.0 108.148 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.24 95.05 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 164.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.91 153.88 50.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -173.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -128.62 149.38 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.891 0.853 . . . . 25.0 112.119 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -104.88 -39.56 2.31 Favored Glycine 0 CA--C 1.496 -1.14 0 CA-C-N 113.975 -1.466 . . . . 25.0 111.583 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.2 p 45.94 -144.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.686 -1.257 . . . . 25.0 111.212 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.56 -10.17 7.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.795 2.146 . . . . 25.0 116.795 -170.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 137.98 58.02 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 174.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.64 44.54 3.37 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.143 -1.183 . . . . 25.0 110.143 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -150.53 157.19 42.71 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 104.193 -2.521 . . . . 25.0 104.193 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -140.81 -179.62 6.16 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 123.148 0.28 . . . . 50.0 111.557 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.509 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -117.61 138.96 46.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 122.977 0.511 . . . . 25.0 111.078 -167.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.4 t -114.15 148.64 36.89 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.8 72.98 0.1 OUTLIER Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.102 -1.047 . . . . 25.0 112.259 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.05 0.04 OUTLIER Glycine 0 C--O 1.238 0.352 0 N-CA-C 119.514 2.566 . . . . 25.0 119.514 -168.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.5 -177.06 12.51 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-O 122.814 1.23 . . . . 25.0 113.939 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 165.23 5.05 Favored Glycine 0 C--N 1.309 -0.93 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.19 81.74 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -79.18 152.16 30.86 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -128.68 104.12 7.47 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 104.948 -2.242 . . . . 25.0 104.948 171.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -125.65 119.82 29.07 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -109.98 136.81 48.66 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -6.15 2.85 Favored Glycine 0 C--O 1.208 -1.485 0 N-CA-C 115.448 0.939 . . . . 25.0 115.448 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 18.88 -96.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 118.263 2.69 . . . . 25.0 118.263 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.13 166.46 54.39 Favored Glycine 0 C--O 1.254 1.395 0 CA-C-O 122.531 1.073 . . . . 25.0 115.626 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.86 167.26 34.78 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.687 -0.965 . . . . 25.0 110.687 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.43 133.94 13.96 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 106.934 -2.466 . . . . 25.0 106.934 171.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.76 155.11 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.24 0.52 . . . . 50.0 111.051 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.78 99.73 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.68 134.29 53.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.81 116.74 20.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.341 -1.725 . . . . 25.0 106.341 172.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.65 -17.69 65.45 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 116.435 1.334 . . . . 25.0 116.435 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.44 -156.87 41.77 Favored Glycine 0 N--CA 1.425 -2.054 0 CA-C-O 125.446 2.692 . . . . 25.0 113.358 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 148.1 34.35 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.368 -3.416 . . . . 25.0 112.202 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -173.31 30.28 Favored Glycine 0 C--N 1.313 -0.718 0 CA-C-N 113.458 -1.701 . . . . 25.0 115.217 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -98.33 105.73 17.91 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.6 151.9 29.53 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.63 108.74 15.81 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 106.768 -1.567 . . . . 25.0 106.768 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -119.89 104.52 10.25 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 119.698 -0.191 . . . . 25.0 111.376 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.43 141.07 35.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.314 -0.866 . . . . 25.0 110.419 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -7.6 2.3 Favored Glycine 0 N--CA 1.462 0.418 0 N-CA-C 117.313 1.685 . . . . 25.0 117.313 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.15 -126.95 2.07 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-O 125.418 2.676 . . . . 25.0 118.514 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.2 144.7 49.47 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 109.492 -3.354 . . . . 25.0 111.523 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.31 161.35 36.56 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.44 0.936 . . . . 25.0 115.44 174.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.67 66.54 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -67.75 153.87 42.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.114 -1.403 . . . . 50.0 109.507 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.9 m -112.47 104.86 12.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -98.47 122.91 42.25 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.677 -3.083 . . . . 25.0 102.677 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -123.18 143.99 49.65 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.844 0.831 . . . . 25.0 111.975 -166.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.83 99.27 6.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.576 -1.193 . . . . 25.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.13 3.19 43.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 95.29 9.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.276 -1.329 . . . . 25.0 110.534 -175.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.79 -72.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.064 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -70.52 -19.08 62.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.891 1.329 . . . . 25.0 107.879 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -74.74 -10.32 59.4 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 113.822 -1.536 . . . . 25.0 111.922 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -130.75 36.56 3.89 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.632 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -102.05 164.8 11.51 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.57 155.0 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.87 168.21 25.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.713 -1.958 . . . . 25.0 105.713 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.51 66.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.62 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.57 0.7 . . . . 25.0 112.123 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.65 152.0 5.54 Favored Glycine 0 C--N 1.316 -0.571 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.468 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.7 p -118.79 143.03 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -125.89 92.46 3.6 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 103.75 -2.685 . . . . 25.0 103.75 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 p -125.36 177.9 5.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.347 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.68 111.84 17.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.84 105.27 17.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.62 121.32 37.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.6 mt -101.53 159.81 14.97 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.397 -0.223 . . . . 25.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.32 79.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 123.079 1.419 . . . . 25.0 114.423 -177.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.38 41.33 0.88 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 -169.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -140.78 72.23 29.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 117.749 2.5 . . . . 25.0 117.749 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.68 22.09 0.95 Allowed 'Trans proline' 0 CA--C 1.541 0.835 0 N-CA-C 110.22 -0.723 . . . . 25.0 110.22 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p 59.94 5.09 0.68 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.915 1.686 . . . . 25.0 114.549 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -144.63 53.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 155.9 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.465 -2.05 . . . . 50.0 105.465 173.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.04 128.58 55.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.326 1.06 . . . . 25.0 113.288 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.7 tp -119.06 131.79 55.98 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -120.31 119.13 32.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.283 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.26 14.25 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.9 -24.89 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.136 -0.353 . . . . 25.0 111.853 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.1 62.16 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.548 0.203 . . . . 25.0 111.548 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.2 mt -93.18 -9.2 40.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.87 -49.74 4.18 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 114.459 -1.246 . . . . 25.0 110.178 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 68.42 169.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.965 1.306 . . . . 25.0 109.739 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.0 p -124.88 -51.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.92 178.91 38.59 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 107.927 -2.069 . . . . 25.0 107.927 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.54 24.75 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.092 0.946 . . . . 25.0 109.006 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.25 64.14 2.08 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 61.56 22.76 13.16 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.38 10.5 82.01 Favored Glycine 0 C--N 1.323 -0.141 0 N-CA-C 118.061 1.984 . . . . 25.0 118.061 166.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -123.5 168.09 13.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.853 0.827 . . . . 25.0 109.821 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 38.28 29.29 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.808 0.843 . . . . 25.0 109.948 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.78 -8.12 45.33 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 p -77.46 171.82 14.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.078 0.939 . . . . 25.0 110.199 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.65 171.74 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.62 152.79 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.759 -1.941 . . . . 25.0 105.759 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -114.32 142.69 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -143.67 148.51 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.82 -1.918 . . . . 25.0 105.82 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.77 131.8 62.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.15 39.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -77.43 -29.08 52.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 25.0 110.96 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.06 -26.79 66.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.416 0.627 . . . . 25.0 109.798 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.72 -9.13 53.41 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.8 33.45 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.12 0.962 . . . . 25.0 111.527 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -132.1 155.54 47.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.677 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.2 t -127.91 108.6 10.83 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 103.737 -2.69 . . . . 25.0 103.737 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.59 142.66 27.09 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 111.848 -2.433 . . . . 25.0 109.168 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -130.28 125.9 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -158.0 165.34 35.35 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.4 t -115.38 151.28 34.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.227 -3.249 . . . . 25.0 102.227 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.78 5.71 2.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 113.742 1.015 . . . . 25.0 113.742 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -65.3 -32.84 74.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.607 0.718 . . . . 25.0 111.107 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.1 p -134.86 138.69 44.41 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -125.4 -73.65 0.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.715 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -81.83 -29.02 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.2 mp0 -77.2 -23.78 51.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.849 -175.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.15 79.46 0.1 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.766 -2.134 . . . . 25.0 107.766 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 115.9 5.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.841 1.305 . . . . 25.0 109.617 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.34 166.1 11.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 111.757 -2.474 . . . . 25.0 110.727 -162.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -76.31 152.37 36.43 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.01 130.15 18.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.5 164.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.76 147.41 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.03 132.33 39.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -80.7 113.81 19.15 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.6 179.54 21.94 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 106.839 -2.504 . . . . 25.0 106.839 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.444 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.5 m120 -119.56 32.3 6.15 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 17.11 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.87 -30.42 65.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.05 -1.833 . . . . 25.0 106.05 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.28 -11.06 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.459 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.23 41.71 3.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.053 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.6 113.48 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -156.96 166.51 33.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.15 70.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.173 0.511 . . . . 25.0 110.743 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.22 -33.11 71.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.159 -0.338 . . . . 25.0 110.212 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.51 -41.22 40.08 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.1 mt -128.5 122.32 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.817 -0.552 . . . . 25.0 112.346 -175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.3 tp -94.98 131.94 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.428 -0.952 . . . . 25.0 108.428 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.95 168.17 20.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.94 30.69 3.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.424 0.63 . . . . 25.0 111.439 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.78 147.25 61.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 107.27 -1.382 . . . . 25.0 107.27 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.88 1.67 7.42 Favored 'Trans proline' 0 C--N 1.351 0.699 0 N-CA-C 114.832 1.051 . . . . 25.0 114.832 -178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.6 143.24 47.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.3 155.91 66.05 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 114.6 -3.133 . . . . 25.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.221 -178.056 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 110.451 -0.203 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.23 -13.32 37.57 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 116.613 -1.791 . . . . 25.0 114.105 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -53.92 9.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.727 -0.471 . . . . 25.0 109.727 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.72 157.7 24.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -128.87 25.06 5.64 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.76 -0.829 . . . . 25.0 108.76 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.91 33.97 23.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.962 0.905 . . . . 25.0 111.597 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -63.79 126.51 90.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -62.96 144.75 93.73 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 114.423 -3.252 . . . . 25.0 113.729 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.15 129.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.01 114.23 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-O 123.099 1.428 . . . . 25.0 108.214 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.29 -137.71 2.24 Favored Glycine 0 C--N 1.314 -0.651 0 CA-C-N 112.834 -1.985 . . . . 25.0 110.739 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -122.0 170.27 9.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.146 0.498 . . . . 25.0 111.021 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.44 2.63 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.551 0.691 . . . . 25.0 109.367 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.21 175.59 10.17 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.47 111.61 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.919 -1.512 . . . . 25.0 106.919 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -95.93 126.81 41.44 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.06 95.19 4.88 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.45 154.01 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -173.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -128.64 148.14 50.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.907 0.861 . . . . 25.0 112.273 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.11 -41.71 1.76 Allowed Glycine 0 CA--C 1.497 -1.068 0 CA-C-N 113.835 -1.53 . . . . 25.0 111.1 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.2 p 44.82 -143.64 0.18 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.888 -1.156 . . . . 25.0 111.036 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.18 -9.82 5.48 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.811 2.152 . . . . 25.0 116.811 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 137.9 58.12 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 46.21 3.64 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 110.379 -1.088 . . . . 25.0 110.379 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.0 159.19 44.73 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 104.068 -2.568 . . . . 25.0 104.068 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -140.8 -179.48 6.08 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.145 0.424 . . . . 50.0 112.145 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.526 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.4 mp -121.59 140.13 46.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 123.045 0.538 . . . . 25.0 110.672 -168.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -118.61 159.24 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.51 79.07 0.06 OUTLIER Glycine 0 N--CA 1.462 0.433 0 C-N-CA 120.029 -1.081 . . . . 25.0 112.55 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.52 -80.82 0.01 OUTLIER Glycine 0 C--O 1.239 0.466 0 N-CA-C 119.083 2.393 . . . . 25.0 119.083 -167.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.28 -175.84 10.23 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-O 122.895 1.275 . . . . 25.0 113.442 -175.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.71 164.8 5.54 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 116.54 1.376 . . . . 25.0 116.54 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.3 81.97 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.64 152.47 29.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -170.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -128.04 103.98 7.53 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.39 118.1 25.94 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.306 -2.109 . . . . 25.0 105.306 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -106.16 136.04 46.56 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.739 -1.948 . . . . 25.0 105.739 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.81 -10.97 1.31 Allowed Glycine 0 C--O 1.21 -1.394 0 C-N-CA 120.221 -0.99 . . . . 25.0 115.369 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 18.78 -95.67 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.543 2.794 . . . . 25.0 118.543 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.75 54.92 Favored Glycine 0 C--O 1.251 1.215 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.49 167.23 33.87 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 110.936 -0.866 . . . . 25.0 110.936 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.83 131.85 11.39 Favored Glycine 0 C--N 1.315 -0.606 0 N-CA-C 107.045 -2.422 . . . . 25.0 107.045 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -127.68 154.58 45.13 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.151 0.476 . . . . 50.0 110.994 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.6 mt -139.28 101.47 4.26 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.43 131.44 53.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -170.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.69 114.14 18.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 171.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.5 -16.77 77.26 Favored Glycine 0 C--O 1.238 0.385 0 N-CA-C 116.214 1.246 . . . . 25.0 116.214 -174.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 70.67 -171.88 43.7 Favored Glycine 0 N--CA 1.422 -2.266 0 CA-C-O 124.437 2.132 . . . . 25.0 111.796 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.1 19.72 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 110.914 -2.643 . . . . 25.0 111.894 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -174.8 21.72 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 113.507 -1.679 . . . . 25.0 115.713 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -98.89 106.68 18.97 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 103.631 -2.729 . . . . 25.0 103.631 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.32 155.49 29.46 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -118.29 109.31 16.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.46 102.21 8.3 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -171.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.79 145.52 25.76 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.171 -0.956 . . . . 25.0 111.325 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.58 0.34 1.23 Allowed Glycine 0 N--CA 1.462 0.404 0 N-CA-C 117.719 1.848 . . . . 25.0 117.719 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 26.43 -123.66 0.05 OUTLIER Glycine 0 CA--C 1.507 -0.44 0 N-CA-C 120.253 2.861 . . . . 25.0 120.253 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -57.22 144.0 37.02 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 110.63 -2.785 . . . . 25.0 111.7 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.82 34.6 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 115.304 0.882 . . . . 25.0 115.304 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.64 66.31 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -68.7 155.28 40.38 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.286 -1.325 . . . . 50.0 109.227 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -114.2 96.34 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.65 0.738 . . . . 25.0 109.121 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -87.77 130.49 34.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 102.506 -3.146 . . . . 25.0 102.506 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -129.92 144.5 51.35 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.943 0.878 . . . . 25.0 113.149 -165.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.18 104.77 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.282 -1.327 . . . . 25.0 113.557 -170.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.47 13.5 34.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 102.663 -3.088 . . . . 25.0 102.663 160.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.7 mt -87.82 69.09 9.5 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 113.364 -1.744 . . . . 25.0 113.435 -168.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -76.27 -68.07 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.812 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -70.47 -24.42 62.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.202 1.001 . . . . 25.0 109.167 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.38 -9.57 58.68 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 114.922 -1.035 . . . . 25.0 111.715 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -140.71 48.2 1.73 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.819 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 24.9 pt20 -102.46 161.53 13.64 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -173.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 155.02 51.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.44 168.29 24.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.41 66.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -5.65 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 25.0 112.069 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.52 150.54 5.22 Favored Glycine 0 C--N 1.316 -0.569 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.612 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -118.35 141.31 48.66 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -125.57 92.57 3.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.658 -2.349 . . . . 25.0 104.658 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -127.72 161.58 28.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.126 0.488 . . . . 25.0 111.991 -170.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -95.7 115.64 27.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.655 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.2 105.72 17.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -83.36 124.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.47 159.48 15.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.302 -0.258 . . . . 25.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.19 80.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.996 1.379 . . . . 25.0 114.625 -177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.74 40.11 0.81 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 -170.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -141.13 71.95 27.55 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 117.756 2.502 . . . . 25.0 117.756 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.19 22.08 0.97 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 N-CA-C 110.306 -0.69 . . . . 25.0 110.306 164.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.2 5.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.728 1.611 . . . . 25.0 114.588 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -137.29 29.2 2.74 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.274 0.63 . . . . 25.0 110.662 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 156.76 19.31 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.262 -1.384 . . . . 50.0 107.262 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.4 130.16 55.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.231 1.015 . . . . 25.0 112.537 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -121.43 129.74 53.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.27 119.02 35.58 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -126.91 16.13 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -67.94 -26.36 65.92 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.959 -0.463 . . . . 25.0 111.023 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.79 -8.5 58.09 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.0 mt -89.5 -13.44 37.46 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.78 4.47 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 109.22 -1.552 . . . . 25.0 109.22 -172.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 69.58 159.36 0.18 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.222 1.409 . . . . 25.0 109.351 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.5 p -119.64 -18.83 8.28 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.68 -177.54 17.23 Favored Glycine 0 CA--C 1.506 -0.517 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 tp -119.65 129.2 54.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.86 44.03 0.21 Allowed Glycine 0 C--O 1.222 -0.612 0 N-CA-C 110.839 -0.905 . . . . 25.0 110.839 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 58.33 27.19 14.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.59 80.15 Favored Glycine 0 CA--C 1.512 -0.11 0 N-CA-C 117.257 1.663 . . . . 25.0 117.257 169.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -126.8 170.25 12.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.879 0.84 . . . . 25.0 109.701 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.79 37.77 27.16 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.834 0.854 . . . . 25.0 109.489 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.26 -22.8 3.56 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 115.468 0.947 . . . . 25.0 115.468 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.0 p -68.71 173.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.461 0.63 . . . . 25.0 111.883 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 169.77 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.741 0.782 . . . . 25.0 110.261 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.45 152.99 38.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.61 144.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.8 p -144.97 158.06 43.93 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.1 134.44 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.97 122.32 39.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.101 -2.185 . . . . 25.0 105.101 176.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -79.76 -26.24 40.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.877 0.37 . . . . 25.0 111.97 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -68.29 -26.45 65.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.696 0.76 . . . . 25.0 109.57 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.17 -8.56 50.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.628 -0.989 . . . . 25.0 110.628 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.77 33.93 9.27 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.178 0.991 . . . . 25.0 111.557 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -129.23 155.65 45.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.423 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -131.21 114.14 14.7 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.55 146.03 26.86 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 111.494 -2.594 . . . . 25.0 109.849 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.29 126.77 32.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -157.9 170.5 22.18 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.8 t -124.24 147.18 48.26 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.16 -2.904 . . . . 25.0 103.16 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.4 9.43 2.7 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.01 -30.35 71.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.618 0.723 . . . . 25.0 110.383 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -131.77 139.31 48.9 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.88 -66.19 1.08 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.794 -1.094 . . . . 25.0 111.802 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 -31.14 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.979 0.895 . . . . 25.0 108.671 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 14.3 mp0 -72.34 -29.51 63.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.391 -1.277 . . . . 25.0 110.328 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.14 69.94 0.28 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.441 -1.863 . . . . 25.0 108.441 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 118.48 8.74 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 122.674 1.226 . . . . 25.0 109.806 -176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -98.57 165.62 11.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 112.859 -1.973 . . . . 25.0 109.79 -168.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 40.2 p90 -84.61 153.53 23.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.426 -0.806 . . . . 25.0 109.796 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -139.51 135.23 33.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.8 m -136.32 163.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.4 t -144.17 146.94 33.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.94 134.41 38.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -81.16 111.89 18.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.35 179.61 25.36 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 107.017 -2.433 . . . . 25.0 107.017 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.6 m120 -120.49 27.79 8.37 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 15.9 0.06 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.58 -29.88 63.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.208 -1.775 . . . . 25.0 106.208 169.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.25 -10.33 59.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.151 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.64 37.84 3.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.857 -0.61 . . . . 25.0 109.538 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.6 113.26 9.45 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.0 p -158.34 165.06 35.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.09 67.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.197 0.522 . . . . 25.0 110.858 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -73.47 -34.43 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.044 -0.41 . . . . 25.0 110.588 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.34 -38.97 49.17 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.291 0.496 . . . . 25.0 112.072 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.6 mt -128.68 125.22 63.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.997 -0.439 . . . . 25.0 111.845 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.3 tp -93.8 130.2 39.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.097 -1.446 . . . . 25.0 107.097 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -145.99 169.07 19.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.42 29.21 3.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.674 0.749 . . . . 25.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.1 146.33 58.49 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.04 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.5 -5.42 16.87 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 114.61 0.965 . . . . 25.0 114.61 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 14.6 p -128.94 141.55 42.12 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -69.8 -179.44 2.93 Favored 'Trans proline' 0 C--O 1.24 0.621 0 N-CA-C 115.479 1.3 . . . . 25.0 115.479 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.252 1.218 0 CA-C-O 116.621 -1.657 . . . . 25.0 107.732 179.404 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.433 -0.21 . . . . 25.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.86 -15.39 43.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.873 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -49.4 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.668 0.27 . . . . 25.0 110.466 175.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.71 155.41 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -128.85 30.85 5.03 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.08 31.79 16.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.156 -0.929 . . . . 25.0 113.094 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -62.67 130.04 93.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 32.3 Cg_exo -66.34 151.44 83.28 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 114.054 -3.497 . . . . 25.0 115.533 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 mt -82.29 131.64 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.164 -1.791 . . . . 25.0 106.164 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -86.18 111.66 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 122.727 1.251 . . . . 25.0 107.861 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.77 -137.69 3.38 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 113.457 -1.701 . . . . 25.0 111.255 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -125.36 170.22 11.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.258 0.551 . . . . 25.0 111.092 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -88.78 3.73 50.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 25.0 109.544 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.97 173.31 12.72 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.5 101.42 1.59 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -86.77 120.0 27.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.7 95.77 5.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 104.732 -2.322 . . . . 25.0 104.732 165.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.3 mt -138.58 153.93 48.69 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.14 148.76 50.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.769 0.795 . . . . 25.0 112.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.1 -40.2 2.15 Favored Glycine 0 C--O 1.225 -0.438 0 CA-C-N 113.759 -1.564 . . . . 25.0 110.651 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p 46.97 -148.53 0.14 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.089 -1.055 . . . . 25.0 111.76 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.58 -12.79 7.26 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -170.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 140.83 58.01 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 53.11 4.67 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 108.962 -1.655 . . . . 25.0 108.962 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.47 144.83 24.78 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 105.597 -2.001 . . . . 25.0 105.597 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' PRO 0.311 3.0 tp10 -140.97 156.18 46.1 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 124.952 1.407 . . . . 75.0 113.764 -175.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 64.2 mt -110.15 137.01 44.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 C-N-CA 123.888 0.875 . . . . 25.0 109.863 -162.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 t -114.04 154.79 27.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.62 78.08 0.07 OUTLIER Glycine 0 C--N 1.321 -0.292 0 C-N-CA 119.943 -1.122 . . . . 25.0 112.857 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -77.1 0.02 OUTLIER Glycine 0 C--O 1.238 0.372 0 N-CA-C 119.59 2.596 . . . . 25.0 119.59 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -177.27 14.03 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-O 122.745 1.191 . . . . 25.0 113.784 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.01 164.0 5.47 Favored Glycine 0 C--N 1.31 -0.894 0 N-CA-C 116.517 1.367 . . . . 25.0 116.517 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.02 81.48 5.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.62 152.02 34.08 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -129.1 104.18 7.41 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -125.22 121.42 34.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.8 136.14 49.59 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.33 -9.68 2.05 Favored Glycine 0 C--O 1.211 -1.328 0 C-N-CA 120.195 -1.002 . . . . 25.0 115.492 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 19.9 -97.57 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 119.597 3.184 . . . . 25.0 119.597 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.52 169.48 54.36 Favored Glycine 0 N--CA 1.462 0.421 0 O-C-N 121.01 -1.056 . . . . 25.0 115.547 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.09 162.66 20.06 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-O 121.499 0.499 . . . . 25.0 112.209 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.67 131.97 11.97 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.43 155.21 45.13 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 117.687 0.744 . . . . 50.0 110.127 -167.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.405 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 12.3 mt -140.92 101.89 4.15 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.63 135.34 53.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.475 0.655 . . . . 25.0 112.409 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.7 116.75 20.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.477 -1.238 . . . . 25.0 107.723 172.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.72 -19.1 62.3 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 116.651 1.421 . . . . 25.0 116.651 -173.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.02 -158.45 41.45 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-O 125.284 2.602 . . . . 25.0 113.139 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 149.51 30.94 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 109.554 -3.323 . . . . 25.0 111.993 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.87 30.36 Favored Glycine 0 C--N 1.314 -0.67 0 CA-C-N 113.443 -1.708 . . . . 25.0 115.059 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -99.33 104.81 16.74 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.52 152.91 26.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.901 1.074 . . . . 50.0 113.901 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -119.62 109.77 16.06 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 106.992 -1.484 . . . . 25.0 106.992 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.9 mt -121.7 101.45 7.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.193 -0.942 . . . . 25.0 110.404 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.89 -7.81 1.75 Allowed Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.665 1.426 . . . . 25.0 116.665 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.93 -128.87 1.12 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-O 125.5 2.722 . . . . 25.0 119.225 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.53 141.97 45.98 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 109.425 -3.388 . . . . 25.0 111.992 -176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.41 160.7 34.5 Favored Glycine 0 C--O 1.245 0.792 0 N-CA-C 115.592 0.997 . . . . 25.0 115.592 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.61 66.0 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.7 154.94 41.01 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.237 -1.347 . . . . 50.0 109.504 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.1 m -112.19 105.96 14.43 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -99.81 123.38 44.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 102.235 -3.246 . . . . 25.0 102.235 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -125.32 144.77 50.33 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.932 0.872 . . . . 25.0 111.869 -164.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -120.19 102.04 8.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.926 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.81 1.84 37.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 91.43 8.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.212 -1.358 . . . . 25.0 110.739 -175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -85.75 -71.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.337 0.866 . . . . 25.0 113.337 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -69.98 -19.77 63.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.406 1.098 . . . . 25.0 108.161 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -74.46 -8.32 55.9 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.919 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -133.61 36.84 3.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.155 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -102.61 166.64 10.4 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 154.16 48.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.208 1.188 . . . . 25.0 114.208 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.8 p -150.78 170.68 18.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.78 65.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.62 -6.79 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.675 0.75 . . . . 25.0 111.939 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.22 150.66 5.26 Favored Glycine 0 C--N 1.315 -0.616 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.887 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -118.45 141.11 48.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -125.77 92.49 3.61 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 103.219 -2.882 . . . . 25.0 103.219 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -124.98 177.97 5.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.416 -169.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.65 112.18 18.11 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mp -95.47 104.19 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -83.67 126.28 40.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -101.83 165.77 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 23.15 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.733 2.123 . . . . 25.0 116.733 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.25 39.91 1.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.679 -1.601 . . . . 25.0 114.746 -170.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -139.53 70.95 38.39 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.81 22.33 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.925 0 N-CA-C 110.082 -0.776 . . . . 25.0 110.082 164.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.34 7.44 0.93 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.639 1.576 . . . . 25.0 114.422 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -146.25 54.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.19 22.34 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -111.2 123.53 50.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.2 tp -112.58 125.08 53.88 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -115.53 116.49 28.26 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.585 -0.279 . . . . 25.0 110.366 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.38 15.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.081 -0.387 . . . . 25.0 111.821 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.46 -13.61 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 122.261 -0.275 . . . . 25.0 111.719 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -89.65 -13.09 37.79 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.64 -50.34 4.31 Favored Glycine 0 C--O 1.236 0.241 0 N-CA-C 109.581 -1.408 . . . . 25.0 109.581 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 67.18 171.13 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.893 1.277 . . . . 25.0 108.241 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.86 -33.44 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 178.67 17.13 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 107.683 -2.167 . . . . 25.0 107.683 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.72 40.78 3.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.297 1.048 . . . . 25.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.92 4.4 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.496 -0.774 . . . . 25.0 114.735 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 58.55 27.98 16.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.81 84.71 Favored Glycine 0 N--CA 1.457 0.093 0 N-CA-C 117.624 1.81 . . . . 25.0 117.624 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -127.18 171.14 11.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.745 0.772 . . . . 25.0 109.514 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 37.6 28.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.784 0.834 . . . . 25.0 109.727 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.17 -9.45 32.9 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.294 0.878 . . . . 25.0 115.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -78.92 171.63 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.766 0.783 . . . . 25.0 110.62 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.05 171.78 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.92 152.87 48.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 p -109.46 145.65 15.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.6 t -143.52 149.45 37.48 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.78 136.53 53.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.2 p -120.88 122.01 39.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.923 -1.88 . . . . 25.0 105.923 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.16 -31.86 49.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.169 0.509 . . . . 25.0 110.665 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -69.74 -26.32 64.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.672 0.749 . . . . 25.0 109.546 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.55 -8.84 59.37 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.293 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.13 30.9 5.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.154 0.981 . . . . 25.0 112.594 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -132.69 158.75 41.54 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -134.69 116.34 14.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 102.563 -3.125 . . . . 25.0 102.563 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.49 149.34 24.94 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 112.226 -2.261 . . . . 25.0 109.775 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.78 127.69 42.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -157.62 168.97 25.75 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.9 t -119.68 154.27 34.32 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 102.905 -2.998 . . . . 25.0 102.905 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.04 2.48 2.35 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.6 -33.34 75.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.689 0.757 . . . . 25.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 44.2 p -133.39 138.6 46.36 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -122.71 -67.99 0.92 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.239 -1.346 . . . . 25.0 111.651 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.7 -29.66 16.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 15.7 mp0 -73.58 -26.56 60.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.208 -1.36 . . . . 25.0 110.094 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.75 73.44 0.22 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 108.25 -1.94 . . . . 25.0 108.25 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 125.6 24.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -119.79 165.99 13.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.67 -1.604 . . . . 25.0 110.011 -162.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.94 152.63 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.037 0.446 . . . . 25.0 112.176 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.03 127.74 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.49 161.84 36.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.5 t -144.37 148.1 34.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -136.29 132.87 36.3 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -80.09 113.52 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.97 179.54 19.75 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 106.62 -2.592 . . . . 25.0 106.62 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 145' ' ' ALA . 2.9 m120 -120.56 32.23 6.09 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 -177.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 14.15 0.08 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.521 1.304 . . . . 25.0 114.521 -175.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -73.28 -28.91 62.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 170.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.05 -11.24 60.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.591 -0.731 . . . . 25.0 109.033 174.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.01 37.28 3.71 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.536 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.93 115.97 10.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.7 p -160.1 164.68 32.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.51 69.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.058 0.456 . . . . 25.0 110.612 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.59 -33.29 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.22 -0.3 . . . . 25.0 110.297 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.98 -40.21 39.98 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.0 mt -128.84 124.44 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.05 131.69 44.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -140.99 168.69 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.92 31.27 3.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.387 0.613 . . . . 25.0 111.505 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.83 149.63 35.97 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.6 0.51 8.04 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 114.93 1.089 . . . . 25.0 114.93 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.95 135.3 26.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 105.238 -2.134 . . . . 25.0 105.238 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.84 -178.82 3.72 Favored 'Trans proline' 0 C--O 1.243 0.749 0 N-CA-C 115.469 1.296 . . . . 25.0 115.469 -172.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 116.612 -1.661 . . . . 25.0 107.051 177.111 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.49 -15.85 42.24 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 116.165 -2.09 . . . . 25.0 113.697 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -41.25 60.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.662 0.268 . . . . 25.0 110.5 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.12 140.58 9.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.457 -1.312 . . . . 25.0 107.457 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.07 20.16 19.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.56 41.76 28.14 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.771 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -64.43 122.99 81.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.28 145.58 98.3 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 115.486 -2.543 . . . . 25.0 115.335 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.16 129.63 37.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.19 115.97 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 123.066 1.412 . . . . 25.0 107.829 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -138.06 2.96 Favored Glycine 0 C--N 1.313 -0.747 0 CA-C-N 112.791 -2.004 . . . . 25.0 110.577 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -122.57 166.68 14.43 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.463 -0.433 . . . . 25.0 110.518 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -86.05 2.19 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.416 0.627 . . . . 25.0 109.68 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.0 176.47 9.8 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.37 110.72 4.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.746 -1.575 . . . . 25.0 106.746 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -88.62 124.06 33.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.269 -1.011 . . . . 50.0 108.269 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -110.63 95.34 5.5 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.766 -3.05 . . . . 25.0 102.766 166.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.07 153.68 45.59 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -129.85 150.32 51.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.894 0.854 . . . . 25.0 111.393 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.69 -38.04 2.46 Favored Glycine 0 CA--C 1.496 -1.141 0 CA-C-N 114.106 -1.406 . . . . 25.0 111.593 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 p 47.27 -147.46 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.932 -1.134 . . . . 25.0 111.727 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.26 -10.7 7.33 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 116.493 2.034 . . . . 25.0 116.493 -170.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 140.06 57.17 Favored 'General case' 0 C--O 1.247 0.952 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.44 41.74 3.09 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -144.59 148.99 35.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.282 3.5 tp10 -140.74 154.06 46.16 Favored 'General case' 0 C--O 1.211 -0.927 0 C-N-CA 123.997 0.919 . . . . 75.0 113.453 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -96.54 139.11 20.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 113.859 -1.519 . . . . 25.0 111.125 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -115.82 149.05 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.4 76.32 0.09 OUTLIER Glycine 0 N--CA 1.463 0.495 0 C-N-CA 119.994 -1.098 . . . . 25.0 112.471 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.91 -78.06 0.02 OUTLIER Glycine 0 C--O 1.238 0.355 0 N-CA-C 119.327 2.491 . . . . 25.0 119.327 -167.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.34 -175.67 10.13 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-O 122.759 1.199 . . . . 25.0 113.602 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.52 165.96 4.86 Favored Glycine 0 C--N 1.31 -0.865 0 N-CA-C 116.78 1.472 . . . . 25.0 116.78 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.24 81.96 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.56 152.28 30.2 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.9 104.2 7.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -127.05 120.66 29.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 106.234 -1.765 . . . . 25.0 106.234 -170.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.35 136.31 50.65 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 106.349 -1.723 . . . . 25.0 106.349 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.68 -3.96 6.35 Favored Glycine 0 C--O 1.211 -1.315 0 CA-C-O 119.003 -0.887 . . . . 25.0 115.134 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 19.53 -99.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.642 2.46 . . . . 25.0 117.642 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.09 167.32 54.28 Favored Glycine 0 C--O 1.255 1.445 0 CA-C-O 122.605 1.114 . . . . 25.0 115.446 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.2 167.42 35.9 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.011 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.92 136.48 19.83 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 106.416 -2.673 . . . . 25.0 106.416 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -127.96 155.14 44.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.393 0.596 . . . . 50.0 109.934 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 48.4 mt -140.61 98.26 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.24 135.37 55.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 25.0 111.652 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 113.28 14.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.27 -1.752 . . . . 25.0 106.27 171.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.42 -19.53 76.28 Favored Glycine 0 C--O 1.236 0.255 0 N-CA-C 116.221 1.249 . . . . 25.0 116.221 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.86 -169.35 52.7 Favored Glycine 0 N--CA 1.421 -2.31 0 CA-C-O 124.834 2.352 . . . . 25.0 112.279 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.59 148.41 24.23 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 110.38 -2.91 . . . . 25.0 111.026 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.53 -176.19 27.39 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 113.586 -1.643 . . . . 25.0 114.524 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -97.38 104.29 16.3 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -111.88 154.81 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -118.23 107.26 13.7 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.2 102.0 8.65 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 111.476 0.176 . . . . 25.0 111.476 -172.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.4 137.53 38.7 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.409 -0.807 . . . . 25.0 109.774 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.02 -16.35 3.28 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.65 -130.76 35.21 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 125.857 2.92 . . . . 25.0 116.723 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.15 146.36 50.8 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 108.775 -3.712 . . . . 25.0 110.858 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.22 160.89 36.97 Favored Glycine 0 C--O 1.244 0.763 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.43 67.58 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.79 153.25 42.36 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.799 -1.546 . . . . 50.0 108.951 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 m -115.08 102.26 9.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -95.12 128.49 42.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -127.25 142.22 51.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.949 0.88 . . . . 25.0 112.207 -165.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 67' ' ' LEU . 23.5 m-85 -122.26 101.32 7.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.35 -1.295 . . . . 25.0 112.762 -171.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.14 14.02 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 102.092 -3.299 . . . . 25.0 102.092 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 65' ' ' PHE . 61.8 mt -86.25 76.13 9.75 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 113.307 -1.77 . . . . 25.0 112.406 -170.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -77.86 -73.72 0.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.006 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.15 -19.46 62.42 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.352 1.073 . . . . 25.0 108.388 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -75.5 -11.94 60.13 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 114.729 -1.123 . . . . 25.0 111.765 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 45.78 2.4 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.121 0.486 . . . . 25.0 110.363 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -102.45 163.51 12.19 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.251 0.548 . . . . 25.0 112.473 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -140.18 153.31 46.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -178.061 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -150.9 168.32 24.87 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.5 66.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.25 -5.62 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 25.0 111.981 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.53 150.86 5.29 Favored Glycine 0 C--N 1.316 -0.562 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.165 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.8 p -117.84 140.9 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.78 92.3 3.57 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -125.78 178.59 5.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.323 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -117.21 111.21 19.13 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.71 105.15 17.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -86.88 120.77 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.62 160.69 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.35 -0.219 . . . . 25.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.25 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 123.4 1.572 . . . . 25.0 114.238 -177.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -149.05 36.32 0.76 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 113.264 -1.789 . . . . 25.0 114.875 -169.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.59 69.84 45.26 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 117.326 2.343 . . . . 25.0 117.326 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.66 21.89 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.818 0 N-CA-C 110.04 -0.792 . . . . 25.0 110.04 164.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p 58.76 8.29 0.91 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 25.0 114.233 -170.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -145.26 54.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.12 155.84 24.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 173.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -111.44 131.05 55.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.384 1.088 . . . . 25.0 113.523 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -121.92 132.82 54.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -119.06 118.76 32.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.624 -0.262 . . . . 25.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.7 13.49 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -68.85 -23.94 64.29 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.022 -0.424 . . . . 25.0 111.248 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.86 61.56 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.505 0.193 . . . . 25.0 111.455 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.78 -14.41 34.6 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.8 -50.92 4.48 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 t80 71.89 161.5 0.24 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.55 1.54 . . . . 25.0 109.089 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -117.09 -21.06 9.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.49 177.42 14.88 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.69 34.77 5.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.945 0.878 . . . . 25.0 110.904 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.35 57.44 3.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 59.36 27.02 16.01 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.759 1.763 . . . . 25.0 115.759 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.59 7.97 85.4 Favored Glycine 0 CA--C 1.513 -0.058 0 N-CA-C 117.768 1.867 . . . . 25.0 117.768 167.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -125.01 169.04 12.51 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.633 0.716 . . . . 25.0 109.512 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.99 37.87 26.72 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.915 0.886 . . . . 25.0 109.485 -173.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.05 -14.47 14.32 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.38 170.84 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.735 0.768 . . . . 25.0 110.603 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.18 171.82 7.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.45 152.77 45.96 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.37 142.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -145.12 145.23 31.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.6 128.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.8 p -120.94 125.23 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -75.36 -23.56 57.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.87 -26.76 66.18 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.68 0.752 . . . . 25.0 109.728 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.13 -10.05 46.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.289 -1.124 . . . . 25.0 110.289 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.08 32.17 9.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.152 0.981 . . . . 25.0 111.375 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -131.11 152.9 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.688 -0.687 . . . . 25.0 112.806 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -122.24 104.64 9.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -90.73 145.46 24.79 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 111.402 -2.635 . . . . 25.0 109.237 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.58 127.91 41.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -157.76 165.36 35.56 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.36 151.22 36.37 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.021 -3.326 . . . . 25.0 102.021 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.69 5.88 2.44 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 -176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.3 -33.49 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.536 0.684 . . . . 25.0 111.225 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.7 p -134.76 136.63 42.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 106.56 -1.644 . . . . 25.0 106.56 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -128.67 -73.37 0.58 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.124 -1.398 . . . . 25.0 110.346 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -29.02 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.3 mp0 -78.47 -22.93 46.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.275 -1.329 . . . . 25.0 111.203 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.04 81.25 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.527 -2.229 . . . . 25.0 107.527 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 118.63 8.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 123.205 1.478 . . . . 25.0 109.838 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -179.58 5.11 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 112.014 -2.357 . . . . 25.0 110.024 -164.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.3 156.3 17.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.54 132.2 19.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.8 m -138.7 163.51 27.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -148.18 146.53 28.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -132.05 133.68 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -79.18 116.04 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.03 179.61 19.17 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 106.687 -2.565 . . . . 25.0 106.687 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.424 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -120.7 32.36 6.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 16.47 0.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.09 -30.1 64.77 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.895 -1.891 . . . . 25.0 105.895 169.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.58 -8.54 57.02 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.417 -0.811 . . . . 25.0 109.418 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.25 39.84 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.117 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.3 117.77 17.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.8 p -158.82 164.59 35.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.81 68.42 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.162 0.506 . . . . 25.0 110.814 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.9 -32.6 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.094 -0.379 . . . . 25.0 110.257 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -41.0 42.59 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.216 0.462 . . . . 25.0 111.866 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.9 mt -128.34 124.96 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.98 -0.45 . . . . 25.0 112.119 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 52.5 tp -94.75 130.75 41.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -147.79 168.65 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.43 29.89 2.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.573 0.701 . . . . 25.0 110.861 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.17 146.82 52.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.62 -6.19 18.3 Favored 'Trans proline' 0 C--N 1.352 0.724 0 N-CA-C 114.498 0.922 . . . . 25.0 114.498 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.61 138.59 32.78 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 104.521 -2.4 . . . . 25.0 104.521 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.17 178.51 4.75 Favored 'Trans proline' 0 C--O 1.245 0.839 0 N-CA-C 115.802 1.424 . . . . 25.0 115.802 -172.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.447 -1.739 . . . . 25.0 106.521 177.525 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 110.537 -0.171 . . . . 25.0 110.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.18 -15.32 42.58 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 116.138 -2.108 . . . . 25.0 113.817 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -41.01 60.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.548 0.213 . . . . 25.0 110.605 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.3 139.36 8.14 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.03 17.93 22.42 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.32 45.02 20.84 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.951 0.9 . . . . 25.0 110.669 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -63.25 134.98 96.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.499 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.23 131.36 38.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 116.051 -2.166 . . . . 25.0 112.7 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -82.13 127.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.91 113.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.785 1.278 . . . . 25.0 108.524 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.44 -136.32 2.85 Favored Glycine 0 C--N 1.317 -0.501 0 CA-C-N 113.429 -1.714 . . . . 25.0 109.943 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -132.04 169.58 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.135 -0.626 . . . . 25.0 110.675 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -88.28 3.96 47.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 25.0 109.49 173.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.18 176.33 9.58 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.597 -1.26 . . . . 25.0 107.597 170.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.03 111.09 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.63 121.74 37.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -112.88 95.07 5.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -135.76 153.9 51.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -127.53 150.29 49.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.795 0.807 . . . . 25.0 111.147 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.89 -37.73 2.68 Favored Glycine 0 CA--C 1.504 -0.652 0 CA-C-N 114.109 -1.405 . . . . 25.0 110.909 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.6 p 47.51 -148.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.082 -1.059 . . . . 25.0 111.679 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.24 -12.66 14.01 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -171.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 139.38 58.16 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.12 38.67 3.19 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.237 -1.145 . . . . 25.0 110.237 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -140.22 139.75 35.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.416 -2.439 . . . . 25.0 104.416 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.7 tp10 -140.83 154.08 46.05 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.373 2.36 . . . . 75.0 117.373 -167.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.488 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.4 mp -88.32 138.06 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 113.187 -1.824 . . . . 25.0 114.026 -165.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -114.17 149.73 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.58 69.95 0.08 OUTLIER Glycine 0 N--CA 1.465 0.572 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -32.25 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.459 0.221 0 N-CA-C 120.144 2.817 . . . . 25.0 120.144 -169.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.18 -176.07 10.31 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-O 122.626 1.125 . . . . 25.0 114.748 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.22 171.15 9.24 Favored Glycine 0 C--N 1.314 -0.671 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 83.39 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -78.88 153.12 30.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -130.25 103.97 7.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 169.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.88 118.27 25.11 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.81 136.2 50.22 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.62 -3.48 8.5 Favored Glycine 0 C--O 1.214 -1.11 0 CA-C-O 119.232 -0.76 . . . . 25.0 114.813 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 21.39 -105.75 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 118.045 2.609 . . . . 25.0 118.045 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.37 52.58 Favored Glycine 0 C--O 1.24 0.481 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.82 172.14 35.56 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-O 122.5 1.056 . . . . 25.0 112.228 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 134.31 15.21 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 107.943 -2.063 . . . . 25.0 107.943 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -127.19 151.67 48.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.754 0.777 . . . . 50.0 109.279 -171.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 76.3 mt -132.17 98.03 4.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 140.72 50.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -145.51 165.7 27.84 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.59 29.09 1.05 Allowed Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.305 -0.95 . . . . 25.0 112.855 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 23.41 -128.7 0.02 OUTLIER Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 118.413 2.125 . . . . 25.0 118.413 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 145.18 56.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 112.154 -2.023 . . . . 25.0 113.545 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.0 -171.81 23.96 Favored Glycine 0 C--N 1.316 -0.566 0 CA-C-N 113.517 -1.674 . . . . 25.0 116.619 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -100.38 110.59 22.81 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 102.405 -3.183 . . . . 25.0 102.405 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.04 158.57 26.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.851 -1.068 . . . . 50.0 112.896 -170.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -120.25 105.86 11.35 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.368 -1.716 . . . . 25.0 106.368 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -124.55 120.14 31.1 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.37 139.36 52.9 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.17 0.441 . . . . 25.0 111.856 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.84 -20.38 4.16 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 115.821 1.088 . . . . 25.0 115.821 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.91 43.59 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-O 125.649 2.805 . . . . 25.0 116.475 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 145.59 53.49 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 109.156 -3.522 . . . . 25.0 110.314 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.73 164.2 40.1 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.411 0.924 . . . . 25.0 115.411 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.68 67.9 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.21 154.55 39.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.762 -1.563 . . . . 50.0 109.013 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.3 m -113.08 108.84 17.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 25.0 110.216 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -85.15 135.73 33.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.829 -1.915 . . . . 25.0 105.829 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -119.97 125.57 48.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.546 0.689 . . . . 25.0 110.732 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -121.68 97.58 5.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.51 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.97 14.36 28.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.847 -2.279 . . . . 25.0 104.847 166.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 87.7 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.44 -1.255 . . . . 25.0 111.979 -171.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -83.89 -61.81 1.73 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.96 0.409 . . . . 25.0 110.913 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -67.37 -26.99 66.74 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.418 1.104 . . . . 25.0 109.96 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.93 -6.29 48.43 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.506 -1.225 . . . . 25.0 111.4 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -140.03 47.91 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 21.7 pt20 -102.21 164.32 11.75 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 -171.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.71 151.86 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.189 -0.914 . . . . 25.0 111.616 -177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.8 p -150.68 170.88 18.13 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.9 67.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.1 50.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.14 161.92 8.92 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.514 -0.766 . . . . 25.0 114.236 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -118.69 138.36 52.68 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.859 0.362 . . . . 25.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.82 92.4 3.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.946 -2.242 . . . . 25.0 104.946 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.6 p -125.39 166.66 16.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.64 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -94.83 117.34 29.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.239 0.543 . . . . 50.0 109.688 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.54 106.7 18.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.55 115.99 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.04 157.42 16.88 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.604 0.362 . . . . 25.0 110.207 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.8 78.74 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 123.284 1.516 . . . . 25.0 114.383 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.33 38.33 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.408 -1.723 . . . . 25.0 115.503 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.0 69.96 49.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.25 20.99 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 N-CA-C 110.177 -0.74 . . . . 25.0 110.177 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 58.78 7.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.54 1.536 . . . . 25.0 114.601 -171.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.97 54.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.24 155.44 22.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.028 -1.842 . . . . 50.0 106.028 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -111.16 134.85 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.329 1.061 . . . . 25.0 113.696 -175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.6 tp -126.85 131.53 51.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.53 116.65 28.53 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.697 0.284 . . . . 25.0 110.649 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.15 9.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -71.82 -15.69 62.15 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.189 -0.319 . . . . 25.0 111.332 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.12 -23.85 66.57 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.912 0.387 . . . . 25.0 110.872 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.26 -2.91 26.41 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.83 -39.51 2.73 Favored Glycine 0 C--N 1.319 -0.413 0 CA-C-N 113.906 -1.497 . . . . 25.0 111.868 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.6 t80 69.66 163.98 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.313 1.445 . . . . 25.0 108.573 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 p -114.3 -27.66 7.53 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.51 173.14 13.22 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 107.92 -2.072 . . . . 25.0 107.92 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -121.41 32.47 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.352 1.076 . . . . 25.0 110.391 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.6 59.38 3.35 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 116.179 1.232 . . . . 25.0 116.179 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 60.67 25.69 15.45 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.98 81.85 Favored Glycine 0 CA--C 1.512 -0.155 0 N-CA-C 118.153 2.021 . . . . 25.0 118.153 165.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -125.42 167.93 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.765 0.782 . . . . 25.0 109.452 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.48 38.88 28.27 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 25.0 109.644 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.81 -15.41 15.04 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.387 -0.824 . . . . 25.0 115.125 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -73.04 171.86 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.722 0.761 . . . . 25.0 110.593 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.76 170.3 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.22 152.86 40.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.98 144.16 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -145.65 152.22 39.29 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.21 133.31 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.19 40.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -79.34 -26.94 42.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.161 0.505 . . . . 25.0 111.097 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.59 -26.4 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 25.0 109.504 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.71 -9.19 53.28 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.742 -0.943 . . . . 25.0 110.742 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.1 33.47 12.21 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.156 0.982 . . . . 25.0 111.454 -176.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -132.16 151.93 51.54 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -122.0 104.82 9.78 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -88.32 143.31 27.09 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 111.301 -2.681 . . . . 25.0 109.412 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.91 127.65 42.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -157.7 164.52 37.05 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.1 t -117.78 148.76 41.76 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 102.26 -3.237 . . . . 25.0 102.26 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.79 4.7 3.33 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.35 0.595 . . . . 25.0 111.439 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.3 p -133.03 130.28 39.2 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -128.33 -75.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.909 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.51 62.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.3 mp0 -78.03 -22.23 49.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.381 -1.282 . . . . 25.0 111.239 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.48 79.61 0.06 OUTLIER Glycine 0 C--O 1.224 -0.501 0 N-CA-C 109.831 -1.308 . . . . 25.0 109.831 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 126.28 27.22 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.774 1.273 . . . . 25.0 110.749 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -179.79 5.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 112.447 -2.16 . . . . 25.0 110.365 -167.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 42.5 p90 -110.85 159.82 17.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.028 0.442 . . . . 25.0 110.574 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -142.61 139.14 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 -174.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.62 163.53 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.9 t -145.38 142.15 29.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.75 130.72 52.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.68 113.89 14.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.46 -179.98 19.79 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 106.87 -2.492 . . . . 25.0 106.87 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.6 m120 -121.32 34.43 5.2 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -176.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 17.96 0.06 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.139 0.971 . . . . 25.0 113.494 -175.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.31 -30.39 66.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 170.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.53 -6.05 56.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.376 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.9 42.3 3.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.264 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.4 124.98 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -161.81 166.15 26.82 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.77 -29.66 67.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.204 0.526 . . . . 25.0 110.822 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.61 -31.42 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.88 -0.513 . . . . 25.0 109.829 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.55 -41.63 45.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.104 0.411 . . . . 25.0 111.772 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.25 124.49 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 121.564 -0.71 . . . . 25.0 112.261 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.68 128.76 37.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -142.59 168.61 19.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.422 -1.696 . . . . 25.0 106.422 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.73 31.64 3.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.396 0.617 . . . . 25.0 111.005 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.24 149.74 39.07 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.4 -13.09 30.31 Favored 'Trans proline' 0 C--N 1.352 0.74 0 N-CA-C 115.019 1.123 . . . . 25.0 115.019 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.03 124.72 35.69 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 105.428 -2.064 . . . . 25.0 105.428 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.79 -174.03 2.06 Favored 'Trans proline' 0 C--O 1.243 0.727 0 N-CA-C 115.184 1.186 . . . . 25.0 115.184 -172.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.175 -1.393 . . . . 25.0 107.66 171.793 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.456 -0.201 . . . . 25.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.25 -14.98 41.84 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 116.195 -2.07 . . . . 25.0 113.762 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -45.31 44.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.64 0.257 . . . . 25.0 110.648 175.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.0 151.38 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.672 -1.232 . . . . 25.0 107.672 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.36 19.45 12.75 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.28 44.42 24.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.883 0.873 . . . . 25.0 110.806 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -67.17 121.86 80.26 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.94 141.82 95.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 115.883 -2.278 . . . . 25.0 113.803 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mt -82.16 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -90.13 114.33 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-O 122.868 1.318 . . . . 25.0 107.525 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 -138.68 3.56 Favored Glycine 0 C--N 1.315 -0.632 0 CA-C-N 113.086 -1.87 . . . . 25.0 110.553 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -124.66 165.5 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.952 0.406 . . . . 25.0 110.492 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -86.04 2.07 47.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.39 0.614 . . . . 25.0 109.832 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.69 175.52 10.54 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 170.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.38 110.87 3.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.552 -1.647 . . . . 25.0 106.552 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -87.73 127.2 35.31 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 107.76 -1.2 . . . . 50.0 107.76 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -114.77 94.97 5.0 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 102.711 -3.07 . . . . 25.0 102.711 166.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.63 153.41 46.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -129.45 149.22 51.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 25.0 111.528 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.35 -40.04 1.99 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 114.035 -1.439 . . . . 25.0 111.385 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.0 p 45.25 -143.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.353 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.58 -11.45 7.17 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 138.32 58.0 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.26 44.3 3.35 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 109.682 -1.367 . . . . 25.0 109.682 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -149.85 153.85 37.42 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 103.828 -2.656 . . . . 25.0 103.828 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.541 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.1 tp10 -140.69 -179.9 6.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.842 0.353 . . . . 75.0 111.944 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.7 mp -116.01 139.33 43.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 25.0 112.657 -167.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.1 t -112.81 148.39 34.94 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.73 72.83 0.1 OUTLIER Glycine 0 N--CA 1.46 0.3 0 C-N-CA 120.217 -0.992 . . . . 25.0 112.368 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.94 -76.09 0.03 OUTLIER Glycine 0 C--O 1.238 0.378 0 N-CA-C 119.511 2.565 . . . . 25.0 119.511 -168.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.42 11.05 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-O 122.691 1.162 . . . . 25.0 114.011 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.59 165.43 4.66 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.57 81.6 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.59 150.93 32.65 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -129.11 104.1 7.36 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -127.24 121.2 30.55 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -111.11 136.05 50.72 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -6.52 3.58 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-O 119.11 -0.828 . . . . 25.0 115.097 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 16.47 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 118.708 2.855 . . . . 25.0 118.708 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.43 164.32 54.14 Favored Glycine 0 C--O 1.251 1.209 0 O-C-N 120.908 -1.12 . . . . 25.0 115.6 -175.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.96 167.77 33.62 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.33 133.34 12.69 Favored Glycine 0 C--N 1.314 -0.65 0 N-CA-C 107.071 -2.411 . . . . 25.0 107.071 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -126.7 153.6 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.355 0.578 . . . . 50.0 111.207 -169.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.17 98.48 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.65 133.08 53.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.543 0.942 . . . . 25.0 113.543 -171.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.36 117.79 22.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.69 -1.596 . . . . 25.0 106.69 172.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.37 -16.64 68.46 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.72 1.448 . . . . 25.0 116.72 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.35 -158.04 43.24 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-O 125.359 2.644 . . . . 25.0 113.056 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 148.55 32.61 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 109.439 -3.38 . . . . 25.0 112.104 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.34 -172.84 29.45 Favored Glycine 0 C--N 1.312 -0.755 0 CA-C-N 113.572 -1.649 . . . . 25.0 115.1 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -99.7 105.77 17.62 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -112.58 152.92 28.32 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 -170.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -118.87 109.21 15.75 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -120.88 107.04 12.23 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.353 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.74 142.69 33.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.231 -0.918 . . . . 25.0 110.507 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.07 -8.1 1.66 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.92 -125.79 1.84 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-O 125.146 2.525 . . . . 25.0 118.539 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.13 144.82 39.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 109.669 -3.266 . . . . 25.0 111.937 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.81 161.07 37.14 Favored Glycine 0 C--O 1.245 0.808 0 N-CA-C 115.662 1.025 . . . . 25.0 115.662 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.64 65.81 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.39 152.56 44.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.19 -1.368 . . . . 50.0 109.408 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.5 m -110.45 96.12 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.612 -0.885 . . . . 25.0 108.612 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -90.56 122.44 33.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 102.368 -3.197 . . . . 25.0 102.368 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.94 147.22 50.11 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 122.074 0.94 . . . . 25.0 112.094 -164.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.32 102.06 8.22 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.323 -1.308 . . . . 25.0 111.66 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.95 1.33 36.6 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 161.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 91.83 8.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.192 -1.367 . . . . 25.0 110.462 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -85.93 -72.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.244 -0.889 . . . . 25.0 113.003 -173.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -70.52 -18.67 62.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.428 1.109 . . . . 25.0 108.179 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.24 -7.7 54.6 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 114.48 -1.236 . . . . 25.0 111.903 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 36.21 3.67 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.753 -0.658 . . . . 25.0 110.149 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.13 165.09 11.35 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.36 152.31 48.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -178.432 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.98 168.98 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.342 -1.725 . . . . 25.0 106.342 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.06 66.42 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.26 50.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.522 0.677 . . . . 25.0 112.009 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.15 152.8 5.7 Favored Glycine 0 C--N 1.316 -0.554 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.368 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.9 p -118.73 142.08 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -124.94 92.18 3.59 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 104.06 -2.57 . . . . 25.0 104.06 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -122.45 177.17 5.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.759 -0.655 . . . . 25.0 110.679 -170.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.44 112.51 18.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.17 105.39 17.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -85.55 122.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.44 159.91 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.62 79.91 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.059 1.409 . . . . 25.0 114.584 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.24 39.79 0.76 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -169.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.67 72.65 24.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 117.716 2.487 . . . . 25.0 117.716 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -87.73 22.76 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 110.324 -0.683 . . . . 25.0 110.324 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.63 7.96 1.16 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.665 1.586 . . . . 25.0 114.136 -171.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -146.12 55.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.49 155.95 23.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.858 -1.904 . . . . 50.0 105.858 174.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -111.24 125.13 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.175 0.988 . . . . 25.0 113.421 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 tp -114.43 125.05 53.39 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.063 -1.829 . . . . 25.0 106.063 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -116.1 119.53 36.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.792 -0.186 . . . . 25.0 110.67 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.41 13.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.1 p -66.01 -30.03 70.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.195 0.443 . . . . 25.0 112.195 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.91 61.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.58 -14.82 36.68 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.89 -50.78 4.22 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 109.131 -1.587 . . . . 25.0 109.131 -171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.6 t80 68.5 167.76 0.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.882 1.273 . . . . 25.0 109.037 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.3 p -121.16 -20.87 6.61 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 -174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.34 176.74 14.54 Favored Glycine 0 CA--C 1.507 -0.407 0 N-CA-C 108.864 -1.694 . . . . 25.0 108.864 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -125.44 34.72 4.88 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.15 0.975 . . . . 25.0 111.093 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.51 58.36 3.75 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.24 -0.891 . . . . 25.0 115.127 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 58.74 27.42 15.92 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.61 1.708 . . . . 25.0 115.61 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.89 9.78 83.96 Favored Glycine 0 CA--C 1.512 -0.123 0 N-CA-C 117.618 1.807 . . . . 25.0 117.618 168.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -126.2 168.88 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.737 0.769 . . . . 25.0 109.417 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.91 37.87 26.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.953 0.901 . . . . 25.0 109.588 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.3 -15.18 12.77 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.01 171.45 12.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.578 0.689 . . . . 25.0 110.303 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.14 171.79 7.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.17 152.79 44.01 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.696 -1.964 . . . . 25.0 105.696 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.89 142.58 24.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.786 -1.931 . . . . 25.0 105.786 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.6 t -144.88 150.65 37.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.17 132.8 63.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.39 122.22 40.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -78.81 -26.33 44.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.025 0.44 . . . . 25.0 111.133 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -68.37 -26.79 65.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.612 0.72 . . . . 25.0 109.524 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.69 52.24 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.52 -1.032 . . . . 25.0 110.52 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 32.33 10.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.236 1.015 . . . . 25.0 111.45 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -131.55 152.84 50.44 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -123.3 105.86 10.21 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.147 -2.538 . . . . 25.0 104.147 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.13 145.28 24.81 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 111.302 -2.681 . . . . 25.0 109.349 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.8 125.39 37.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -157.94 168.91 25.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -118.64 155.21 31.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 102.554 -3.128 . . . . 25.0 102.554 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.0 0.41 2.16 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 113.259 0.837 . . . . 25.0 113.259 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.95 -34.12 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.514 0.674 . . . . 25.0 110.873 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.1 p -133.16 133.64 43.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -127.95 -73.82 0.59 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.955 -1.475 . . . . 25.0 110.018 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.57 -28.87 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.18 -1.044 . . . . 25.0 108.18 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.6 mp0 -77.87 -21.05 51.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.207 -1.361 . . . . 25.0 111.08 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.74 82.33 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 107.909 -2.076 . . . . 25.0 107.909 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 118.01 7.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.959 1.361 . . . . 25.0 109.83 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -179.87 5.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.397 -2.183 . . . . 25.0 110.484 -166.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.69 157.76 16.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.766 -0.197 . . . . 25.0 111.443 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.01 129.76 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.06 164.18 25.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 106.816 -1.55 . . . . 25.0 106.816 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -134.33 131.66 38.6 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.82 114.01 17.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.26 -179.84 20.46 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.989 -2.444 . . . . 25.0 106.989 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.2 m120 -120.89 30.36 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 13.31 0.09 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -73.28 -29.1 62.5 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 106.489 -1.671 . . . . 25.0 106.489 170.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.19 -11.84 60.4 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.505 -0.771 . . . . 25.0 108.923 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -114.34 37.53 3.34 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.766 -0.652 . . . . 25.0 109.435 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.51 115.19 9.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.8 p -159.85 164.68 33.42 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.2 69.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.106 0.479 . . . . 25.0 110.666 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.035 -0.415 . . . . 25.0 110.446 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -78.48 -37.63 42.91 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.06 127.47 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 112.816 0.672 . . . . 25.0 112.816 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.38 132.31 47.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.247 -1.39 . . . . 25.0 107.247 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.4 168.0 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.83 30.06 2.08 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.586 0.708 . . . . 25.0 110.844 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.27 148.33 47.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.37 -6.62 19.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 N-CA-C 114.559 0.946 . . . . 25.0 114.559 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.04 138.75 32.75 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 104.068 -2.567 . . . . 25.0 104.068 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.94 -179.42 3.42 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 117.241 -1.373 . . . . 25.0 115.43 -172.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 116.495 -1.717 . . . . 25.0 106.911 177.865 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 110.481 -0.192 . . . . 25.0 110.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.11 -14.28 40.38 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.016 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -51.51 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.124 -0.325 . . . . 25.0 110.124 175.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.37 156.96 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.246 -1.391 . . . . 25.0 107.246 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.75 25.52 6.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.01 38.54 30.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.557 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -63.5 123.8 82.3 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -62.14 148.01 94.0 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.025 -2.85 . . . . 25.0 114.652 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.6 131.82 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.57 114.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 123.143 1.449 . . . . 25.0 107.761 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.24 -137.29 2.55 Favored Glycine 0 C--N 1.314 -0.693 0 CA-C-N 112.693 -2.049 . . . . 25.0 110.094 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -127.56 164.57 21.68 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.375 -0.485 . . . . 25.0 109.804 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -85.82 2.53 45.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.441 0.639 . . . . 25.0 109.818 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.54 176.79 9.48 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 170.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.46 112.28 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.01 132.33 34.79 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -119.66 95.31 4.73 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 102.447 -3.168 . . . . 25.0 102.447 165.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -140.9 153.86 45.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -130.71 148.98 52.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.962 0.886 . . . . 25.0 111.886 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -40.88 1.8 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 113.88 -1.509 . . . . 25.0 111.005 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.3 p 46.04 -145.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.808 -1.196 . . . . 25.0 111.365 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.71 -8.53 4.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.792 2.145 . . . . 25.0 116.792 -170.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 137.73 58.14 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.49 45.96 3.59 Favored Glycine 0 C--O 1.224 -0.474 0 N-CA-C 110.407 -1.077 . . . . 25.0 110.407 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -151.39 157.33 42.27 Favored 'General case' 0 C--O 1.248 1.001 0 N-CA-C 104.305 -2.48 . . . . 25.0 104.305 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.51 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.68 -179.64 6.16 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.51 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -115.51 139.94 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 123.045 0.538 . . . . 25.0 111.322 -168.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 t -113.76 146.98 39.09 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.33 -1.73 . . . . 25.0 106.33 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.23 69.12 0.1 OUTLIER Glycine 0 N--CA 1.461 0.319 0 C-N-CA 120.036 -1.078 . . . . 25.0 112.359 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.09 -73.21 0.05 OUTLIER Glycine 0 C--O 1.238 0.356 0 N-CA-C 119.751 2.66 . . . . 25.0 119.751 -168.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.47 -176.69 11.83 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 122.659 1.144 . . . . 25.0 114.017 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.33 165.05 4.19 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 117.083 1.593 . . . . 25.0 117.083 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.04 81.18 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.43 151.18 31.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -169.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.62 104.86 7.9 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -126.56 123.29 37.38 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 104.782 -2.303 . . . . 25.0 104.782 -170.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -110.89 135.88 50.76 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.168 -1.79 . . . . 25.0 106.168 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.7 -9.69 2.21 Favored Glycine 0 C--O 1.21 -1.366 0 N-CA-C 115.496 0.958 . . . . 25.0 115.496 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 20.88 -101.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 118.008 2.595 . . . . 25.0 118.008 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.47 167.29 54.75 Favored Glycine 0 C--O 1.256 1.478 0 N-CA-C 115.879 1.111 . . . . 25.0 115.879 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.38 166.69 34.9 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 114.179 -1.01 . . . . 25.0 110.663 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.04 132.4 12.14 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.131 -2.388 . . . . 25.0 107.131 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -126.75 152.78 46.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.094 0.447 . . . . 50.0 111.138 -170.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -137.48 99.91 4.08 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.65 135.07 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.765 1.024 . . . . 25.0 113.765 -170.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.2 115.14 17.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 172.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -17.75 66.44 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 116.539 1.376 . . . . 25.0 116.539 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.17 -155.95 42.25 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.58 2.767 . . . . 25.0 113.765 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 148.6 35.29 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 109.16 -3.52 . . . . 25.0 112.086 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.22 -173.68 30.42 Favored Glycine 0 C--N 1.312 -0.765 0 CA-C-N 113.548 -1.66 . . . . 25.0 115.278 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -97.83 104.19 16.19 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 105.063 -2.199 . . . . 25.0 105.063 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -111.26 151.03 28.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.92 1.081 . . . . 50.0 113.92 -170.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -119.39 109.36 15.67 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.49 100.73 7.19 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 -171.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.29 145.36 24.51 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.215 -0.928 . . . . 25.0 110.584 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -5.29 1.31 Allowed Glycine 0 C--O 1.227 -0.328 0 N-CA-C 116.867 1.507 . . . . 25.0 116.867 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 32.45 -128.61 0.28 Allowed Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 119.989 2.756 . . . . 25.0 119.989 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.01 143.04 44.68 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 109.598 -3.301 . . . . 25.0 111.488 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.95 160.02 32.68 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 115.406 0.922 . . . . 25.0 115.406 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.13 67.67 8.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.594 -1.261 . . . . 25.0 107.594 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -70.54 158.35 36.27 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.743 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.3 m -115.8 107.13 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -100.58 123.54 44.93 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 102.71 -3.07 . . . . 25.0 102.71 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.47 144.26 50.62 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 121.806 0.812 . . . . 25.0 112.089 -165.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -120.37 101.99 8.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.533 -1.212 . . . . 25.0 112.317 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.43 2.86 39.82 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.465 -2.42 . . . . 25.0 104.465 162.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.59 93.44 9.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.118 -1.401 . . . . 25.0 110.679 -175.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -85.35 -72.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -71.29 -17.93 62.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.701 1.239 . . . . 25.0 107.665 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -75.04 -10.05 59.11 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 114.004 -1.453 . . . . 25.0 112.239 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.42 33.4 4.31 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.03 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.06 165.48 11.14 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.82 157.04 47.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.8 p -150.55 167.43 27.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.26 65.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -6.09 49.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 25.0 112.057 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.25 147.5 4.54 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.563 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.93 142.52 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.96 92.08 3.52 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 103.395 -2.817 . . . . 25.0 103.395 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -121.92 176.92 5.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.919 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.65 110.27 15.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.7 104.14 16.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -84.28 126.07 40.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.8 165.08 11.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 21.77 80.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.828 2.159 . . . . 25.0 116.828 -173.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.5 41.14 1.46 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.009 -1.45 . . . . 25.0 114.456 -170.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -138.6 71.19 44.51 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 117.528 2.418 . . . . 25.0 117.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -88.28 21.41 1.01 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 N-CA-C 110.058 -0.785 . . . . 25.0 110.058 164.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.1 6.29 0.67 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.739 1.616 . . . . 25.0 114.57 -170.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -145.46 53.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.86 155.46 20.78 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.602 -1.999 . . . . 50.0 105.602 174.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -111.05 129.68 55.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.236 1.017 . . . . 25.0 113.371 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 tp -120.04 133.24 55.59 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 174.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -122.22 117.41 26.1 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.242 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.12 13.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.0 p -67.46 -26.97 66.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.051 -0.405 . . . . 25.0 111.85 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.2 -15.39 62.46 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.657 0.265 . . . . 25.0 111.531 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.67 -11.3 40.18 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.04 -51.31 4.4 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 -171.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 t80 66.56 168.53 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.085 1.354 . . . . 25.0 109.987 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -119.07 -31.69 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.6 177.79 15.17 Favored Glycine 0 CA--C 1.509 -0.339 0 N-CA-C 108.871 -1.692 . . . . 25.0 108.871 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.36 36.6 4.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.07 0.938 . . . . 25.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.56 56.81 3.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.64 1.016 . . . . 25.0 115.64 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 59.73 26.2 15.29 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.881 1.808 . . . . 25.0 115.881 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.55 83.13 Favored Glycine 0 C--O 1.229 -0.177 0 N-CA-C 117.992 1.957 . . . . 25.0 117.992 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -123.8 167.64 13.79 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.818 0.809 . . . . 25.0 109.558 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.43 38.9 28.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.835 0.854 . . . . 25.0 109.783 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.77 -11.58 26.43 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.373 -0.831 . . . . 25.0 115.137 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.4 p -75.65 172.54 12.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.724 0.762 . . . . 25.0 110.504 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.08 168.57 9.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.03 152.84 39.35 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.43 140.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t -145.51 151.18 37.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.793 -1.929 . . . . 25.0 105.793 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.94 133.25 63.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.69 122.11 39.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.717 -1.957 . . . . 25.0 105.717 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -78.99 -23.35 44.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.723 -173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.85 -26.4 65.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.76 0.79 . . . . 25.0 109.397 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.36 -9.4 50.96 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.159 -1.176 . . . . 25.0 110.159 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.45 31.56 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.309 1.044 . . . . 25.0 111.351 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -130.25 149.13 52.08 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.2 t -118.1 103.9 10.32 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 103.841 -2.652 . . . . 25.0 103.841 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -88.19 140.61 29.3 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 111.163 -2.744 . . . . 25.0 109.252 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -127.87 122.43 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -157.82 167.0 31.25 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 t -114.3 153.51 29.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 103.69 -2.707 . . . . 25.0 103.69 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 3.24 2.65 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.3 -32.4 73.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.579 0.704 . . . . 25.0 110.581 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.7 p -135.14 139.85 44.95 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 104.697 -2.335 . . . . 25.0 104.697 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -113.05 -73.8 0.65 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.918 -1.037 . . . . 25.0 113.554 -174.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.74 -38.22 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.094 0.949 . . . . 25.0 108.693 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.634 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.4 mp0 -67.47 -30.53 70.26 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 113.973 -1.467 . . . . 25.0 110.429 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.42 64.34 0.54 Allowed Glycine 0 CA--C 1.501 -0.788 0 N-CA-C 106.66 -2.576 . . . . 25.0 106.66 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 119.82 10.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.339 1.066 . . . . 25.0 108.396 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.4 p -120.15 166.09 13.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.838 -1.983 . . . . 25.0 110.844 -160.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -64.56 148.55 50.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.34 125.6 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.683 -1.228 . . . . 25.0 107.683 171.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.66 165.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -145.55 148.69 33.46 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 tt -133.16 129.58 38.03 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.488 -1.301 . . . . 25.0 107.488 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -79.6 115.64 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.62 179.47 19.46 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 106.047 -2.821 . . . . 25.0 106.047 -174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.8 m120 -121.54 35.98 4.74 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 17.86 0.06 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 122.126 0.965 . . . . 25.0 113.415 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.62 -29.71 64.97 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 170.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.31 -6.85 57.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.259 -0.882 . . . . 25.0 109.457 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.4 42.36 3.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.373 0.606 . . . . 25.0 110.265 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.65 124.55 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.6 p -162.39 165.91 25.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.57 67.72 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.092 0.472 . . . . 25.0 110.878 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.48 -31.55 65.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.998 -0.438 . . . . 25.0 109.976 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.84 -41.28 44.72 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.039 0.381 . . . . 25.0 111.773 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mt -128.96 124.91 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.772 -0.58 . . . . 25.0 112.545 -175.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.05 167.27 22.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.76 32.54 4.35 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.337 0.589 . . . . 25.0 111.319 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.25 149.28 42.45 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 107.052 -1.462 . . . . 25.0 107.052 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.32 -11.13 26.49 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.331 -1.313 . . . . 25.0 113.278 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.32 128.26 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.33 175.17 10.38 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.91 -0.927 . . . . 25.0 113.88 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 116.737 -1.602 . . . . 25.0 106.858 177.176 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.209 -0.424 . . . . 25.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.83 -19.0 67.49 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 114.806 -2.996 . . . . 25.0 115.427 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -74.15 -37.0 64.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.61 0.641 . . . . 25.0 110.949 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.87 138.0 7.87 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.103 0.561 . . . . 25.0 109.77 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.79 13.65 26.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.86 44.69 22.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.016 0.926 . . . . 25.0 110.563 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -64.37 116.65 30.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.252 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.31 144.73 98.71 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 115.003 -2.865 . . . . 25.0 115.027 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.32 131.92 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -85.33 114.04 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.033 1.397 . . . . 25.0 107.904 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.18 -136.31 1.91 Allowed Glycine 0 C--N 1.314 -0.665 0 CA-C-N 112.921 -1.945 . . . . 25.0 109.856 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -131.19 170.52 14.46 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.187 -0.596 . . . . 25.0 110.016 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -87.74 4.42 44.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.633 0.73 . . . . 25.0 109.299 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -80.19 175.65 10.46 Favored 'General case' 0 C--O 1.251 1.158 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 170.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -68.76 101.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 173.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.82 119.46 23.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -109.19 95.07 5.38 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 102.956 -2.979 . . . . 25.0 102.956 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -140.95 153.84 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.97 149.6 50.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.825 0.821 . . . . 25.0 111.202 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.82 -39.32 2.04 Favored Glycine 0 CA--C 1.5 -0.879 0 CA-C-N 114.06 -1.427 . . . . 25.0 111.338 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 p 48.22 -145.46 0.33 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.209 -0.995 . . . . 25.0 111.214 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.77 -7.16 6.99 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 138.38 58.25 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.3 3.12 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 110.525 -1.03 . . . . 25.0 110.525 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -152.26 149.56 28.84 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 104.795 -2.298 . . . . 25.0 104.795 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.308 2.2 tp10 -140.65 156.51 46.22 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.469 1.655 . . . . 75.0 115.469 -168.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.65 140.68 15.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.646 -1.161 . . . . 25.0 113.363 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -115.34 149.94 37.09 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 105.145 -2.168 . . . . 25.0 105.145 171.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.38 74.7 0.05 OUTLIER Glycine 0 N--CA 1.469 0.867 0 CA-C-N 119.674 1.125 . . . . 25.0 114.033 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.41 -74.13 0.07 OUTLIER Glycine 0 C--O 1.235 0.213 0 N-CA-C 120.632 3.013 . . . . 25.0 120.632 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.19 -176.07 10.33 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.498 1.055 . . . . 25.0 115.083 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.53 169.23 8.09 Favored Glycine 0 C--N 1.314 -0.67 0 N-CA-C 116.521 1.368 . . . . 25.0 116.521 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.7 81.8 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.89 148.76 38.04 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.17 104.35 7.01 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.161 -2.163 . . . . 25.0 105.161 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.49 120.43 28.3 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.22 136.27 50.55 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -3.86 4.36 Favored Glycine 0 C--O 1.212 -1.248 0 C-N-CA 120.169 -1.015 . . . . 25.0 114.7 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 16.58 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.84 167.03 54.67 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 116.108 1.203 . . . . 25.0 116.108 -174.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.33 163.52 26.19 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 117.845 0.823 . . . . 25.0 113.082 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.66 132.97 12.44 Favored Glycine 0 C--O 1.216 -1.006 0 N-CA-C 106.594 -2.602 . . . . 25.0 106.594 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -129.0 154.85 46.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.295 1.548 . . . . 50.0 110.794 -167.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 17.6 mt -136.85 98.02 3.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.02 140.85 52.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.737 -0.665 . . . . 25.0 111.76 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.14 160.35 41.08 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.65 33.57 1.18 Allowed Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.144 -1.027 . . . . 25.0 113.888 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.95 -127.71 0.01 OUTLIER Glycine 0 C--O 1.238 0.357 0 N-CA-C 120.623 3.009 . . . . 25.0 120.623 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 146.53 52.9 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 112.157 -2.021 . . . . 25.0 112.649 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -172.06 24.68 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 113.647 -1.615 . . . . 25.0 115.886 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -101.92 110.51 22.5 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 103.39 -2.819 . . . . 25.0 103.39 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -119.29 155.84 31.07 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -122.77 107.01 11.43 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.59 109.45 15.26 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.56 143.45 33.7 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.4 -0.812 . . . . 25.0 110.09 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.48 -11.38 1.73 Allowed Glycine 0 C--O 1.222 -0.624 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.36 -128.98 7.11 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-O 125.745 2.858 . . . . 25.0 118.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -60.54 144.21 52.01 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 109.093 -3.554 . . . . 25.0 111.175 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.35 161.31 35.79 Favored Glycine 0 C--O 1.244 0.761 0 N-CA-C 115.669 1.028 . . . . 25.0 115.669 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.24 67.51 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.75 154.6 41.75 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.769 -1.559 . . . . 50.0 109.401 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -113.91 108.79 17.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 104.176 -2.528 . . . . 25.0 104.176 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -115.35 134.63 54.93 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.47 0.652 . . . . 25.0 111.485 -165.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -120.48 98.74 6.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.471 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.07 4.09 36.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.759 -2.311 . . . . 25.0 104.759 165.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.35 93.02 8.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.205 -1.361 . . . . 25.0 110.794 -175.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -84.41 -72.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.42 -19.36 62.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.795 1.283 . . . . 25.0 107.844 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -76.57 -9.19 58.48 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 114.081 -1.418 . . . . 25.0 112.235 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.16 33.29 4.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.769 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -101.99 165.43 11.18 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.66 156.3 48.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.51 167.45 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 171.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.27 64.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.66 -6.25 49.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.802 0.811 . . . . 25.0 111.992 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.48 147.14 4.46 Favored Glycine 0 C--N 1.316 -0.555 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.295 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -118.56 142.86 47.21 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -123.78 92.17 3.62 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 103.074 -2.935 . . . . 25.0 103.074 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 p -126.59 166.43 17.32 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.728 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.23 105.11 17.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.628 -1.249 . . . . 25.0 107.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.57 124.02 39.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 106.997 -1.482 . . . . 25.0 106.997 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.8 mt -101.87 165.74 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 22.31 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.57 42.91 1.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 115.545 1.683 . . . . 25.0 115.545 -170.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -140.29 71.41 33.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.942 2.571 . . . . 25.0 117.942 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.64 21.88 0.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 N-CA-C 110.135 -0.756 . . . . 25.0 110.135 163.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.3 3.91 0.42 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.855 1.662 . . . . 25.0 115.098 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -138.67 32.85 2.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.305 0.642 . . . . 25.0 110.901 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.21 155.14 20.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 50.0 106.962 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.31 131.08 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.202 1.001 . . . . 25.0 113.327 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 tp -121.71 130.48 53.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.13 111.64 19.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.13 14.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -67.78 -26.18 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.98 -0.45 . . . . 25.0 111.111 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.66 -17.32 62.85 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.665 0.269 . . . . 25.0 111.491 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 mt -89.85 -13.42 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.02 -51.14 4.51 Favored Glycine 0 C--O 1.236 0.22 0 N-CA-C 108.95 -1.66 . . . . 25.0 108.95 -170.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 67.26 168.89 0.25 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.216 1.406 . . . . 25.0 109.236 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -121.26 -23.37 5.75 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.97 179.88 16.11 Favored Glycine 0 CA--C 1.508 -0.382 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.76 38.42 4.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 122.096 0.95 . . . . 25.0 111.694 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.41 57.01 4.45 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.334 -0.848 . . . . 25.0 114.956 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 58.82 28.36 17.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.21 8.23 83.97 Favored Glycine 0 N--CA 1.458 0.102 0 N-CA-C 117.802 1.881 . . . . 25.0 117.802 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -125.72 168.61 13.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.775 0.788 . . . . 25.0 109.399 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.11 37.69 26.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.92 0.888 . . . . 25.0 109.493 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.51 -15.04 10.11 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 115.421 0.929 . . . . 25.0 115.421 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -72.79 171.91 11.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.608 0.704 . . . . 25.0 110.466 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.31 169.24 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.82 152.85 39.09 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.3 144.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.1 t -146.91 150.96 36.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.899 . . . . 25.0 105.871 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.78 131.79 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.99 122.28 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -76.54 -29.18 56.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.098 0.475 . . . . 25.0 111.28 -175.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -67.97 -26.7 66.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.414 0.626 . . . . 25.0 109.908 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.31 -9.89 52.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.691 -0.964 . . . . 25.0 110.691 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.25 33.29 12.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.131 0.972 . . . . 25.0 111.212 -175.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -132.43 155.95 47.57 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.481 -0.781 . . . . 25.0 112.775 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.5 t -128.42 109.43 11.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.421 -2.807 . . . . 25.0 103.421 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -93.95 142.55 27.25 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.882 -2.417 . . . . 25.0 109.288 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.36 124.03 29.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -157.56 168.07 28.35 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.1 t -115.59 153.44 31.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.09 4.81 2.28 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.92 -33.51 75.99 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.63 0.729 . . . . 25.0 110.945 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 33.0 p -135.11 140.74 45.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -111.13 -74.7 0.63 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.902 -1.044 . . . . 25.0 113.577 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.89 -37.7 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.51 -30.2 69.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.102 -1.408 . . . . 25.0 110.482 -174.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.35 64.08 0.54 Allowed Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 106.889 -2.484 . . . . 25.0 106.889 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 119.96 11.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.43 1.109 . . . . 25.0 108.357 -177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.4 p -122.55 165.35 16.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 112.802 -1.999 . . . . 25.0 110.899 -160.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.73 147.61 45.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.67 127.41 18.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 171.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.03 165.87 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -144.65 147.34 32.96 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -132.86 130.58 39.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -80.29 112.12 17.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.04 179.48 23.15 Favored Glycine 0 N--CA 1.436 -1.329 0 N-CA-C 106.614 -2.594 . . . . 25.0 106.614 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -119.84 32.04 6.25 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 17.03 0.07 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.74 -30.31 65.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 169.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.77 -8.14 56.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.47 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.71 41.75 3.4 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.115 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.29 119.59 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.5 p -161.23 165.36 29.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.47 67.68 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.03 0.443 . . . . 25.0 110.764 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -72.15 -31.48 66.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.039 -0.413 . . . . 25.0 110.108 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.1 0.409 . . . . 25.0 111.728 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -128.11 122.21 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.754 -0.591 . . . . 25.0 112.269 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.4 tp -92.9 131.05 38.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -140.73 169.1 18.27 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.89 30.43 3.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.495 0.664 . . . . 25.0 110.884 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.99 150.18 36.94 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.53 -5.91 18.05 Favored 'Trans proline' 0 C--N 1.352 0.753 0 N-CA-C 114.497 0.922 . . . . 25.0 114.497 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.58 133.53 24.27 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.22 -176.24 2.59 Favored 'Trans proline' 0 C--O 1.243 0.756 0 N-CA-C 115.573 1.336 . . . . 25.0 115.573 -172.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 116.457 -1.735 . . . . 25.0 107.16 177.351 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.554 -0.165 . . . . 25.0 110.554 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.29 -16.02 43.24 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 116.043 -2.171 . . . . 25.0 113.561 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -40.73 61.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.506 0.193 . . . . 25.0 110.906 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.88 142.46 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -114.5 20.22 15.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.67 44.61 26.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.985 0.914 . . . . 25.0 110.92 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -63.87 117.39 35.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.49 141.9 96.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 115.584 -2.477 . . . . 25.0 114.812 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mt -82.1 133.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.32 112.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 122.77 1.271 . . . . 25.0 107.769 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.65 -136.95 3.11 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.414 -1.721 . . . . 25.0 110.54 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -130.93 166.39 21.04 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.35 -0.5 . . . . 25.0 110.301 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.96 3.54 45.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 25.0 109.915 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.25 174.02 11.99 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.46 101.33 1.22 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -81.52 120.71 25.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -108.77 94.88 5.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 102.85 -3.018 . . . . 25.0 102.85 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -140.94 153.43 45.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.9 148.25 49.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.342 0.592 . . . . 25.0 111.401 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.43 -39.43 1.78 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 109.552 -1.419 . . . . 25.0 109.552 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p 48.38 -147.87 0.24 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.115 -1.043 . . . . 25.0 111.364 -176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.94 -6.71 9.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.279 1.955 . . . . 25.0 116.279 -169.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.13 58.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 173.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.67 44.76 3.0 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.369 -1.093 . . . . 25.0 110.369 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -148.65 147.43 28.92 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 2.8 tp10 -140.94 153.99 45.88 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 115.877 1.806 . . . . 75.0 115.877 -174.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.11 137.79 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 125.484 1.514 . . . . 25.0 111.368 -165.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -105.33 148.36 27.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 68.09 0.08 OUTLIER Glycine 0 N--CA 1.466 0.648 0 C-N-CA 119.964 -1.112 . . . . 25.0 114.238 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.61 0.03 OUTLIER Glycine 0 C--O 1.238 0.383 0 N-CA-C 120.102 2.801 . . . . 25.0 120.102 -168.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.62 -177.77 11.41 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 122.74 1.189 . . . . 25.0 114.41 -173.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.67 164.83 4.45 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.65 81.18 5.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -77.35 150.28 35.18 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -170.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -129.37 104.05 7.27 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -124.86 119.39 28.71 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 -170.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -106.42 135.98 46.97 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.16 -4.3 3.3 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 120.775 -0.726 . . . . 25.0 114.056 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 17.26 -103.76 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.652 3.205 . . . . 25.0 119.652 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.6 171.12 53.5 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 116.17 1.228 . . . . 25.0 116.17 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.79 164.59 33.83 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.377 -0.689 . . . . 25.0 111.377 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.32 131.76 10.77 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 106.959 -2.456 . . . . 25.0 106.959 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -127.33 155.21 43.93 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.556 0.678 . . . . 50.0 110.58 -165.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 28.0 mt -138.45 97.84 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -125.1 134.46 52.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.015 0.436 . . . . 25.0 111.501 -169.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -128.91 123.23 32.07 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.54 -20.5 58.32 Favored Glycine 0 C--O 1.229 -0.208 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.05 -155.47 42.6 Favored Glycine 0 N--CA 1.425 -2.099 0 CA-C-O 125.222 2.568 . . . . 25.0 112.812 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 147.49 35.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 109.595 -3.302 . . . . 25.0 112.502 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.05 -172.61 30.95 Favored Glycine 0 C--N 1.314 -0.667 0 CA-C-N 113.512 -1.677 . . . . 25.0 115.502 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.32 106.59 18.89 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -113.3 153.55 28.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.967 -1.015 . . . . 50.0 113.646 -171.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -119.98 109.41 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -121.17 101.64 7.79 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.28 144.39 27.12 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.234 -0.916 . . . . 25.0 110.959 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.21 8.0 1.88 Allowed Glycine 0 N--CA 1.464 0.533 0 N-CA-C 117.613 1.805 . . . . 25.0 117.613 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 21.4 -123.61 0.01 OUTLIER Glycine 0 C--O 1.241 0.551 0 N-CA-C 121.006 3.162 . . . . 25.0 121.006 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.45 145.27 48.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 111.07 -2.565 . . . . 25.0 110.52 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.56 156.58 28.61 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 114.485 0.554 . . . . 25.0 114.485 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 71.37 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.962 -1.866 . . . . 25.0 105.962 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.6 159.38 33.18 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.415 -1.72 . . . . 50.0 110.328 -174.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -114.98 96.59 5.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -89.0 123.06 32.97 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 103.295 -2.854 . . . . 25.0 103.295 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -115.63 139.23 50.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.862 0.839 . . . . 25.0 112.096 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -122.72 102.12 7.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.937 -1.028 . . . . 25.0 111.498 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.27 3.5 35.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 163.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 90.35 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.147 -1.388 . . . . 25.0 112.123 -173.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -82.36 -71.28 0.49 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -67.35 -22.26 65.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.692 1.234 . . . . 25.0 108.867 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -76.59 -7.45 55.24 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 114.263 -1.335 . . . . 25.0 112.104 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -134.55 36.66 3.14 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.742 -0.663 . . . . 25.0 110.072 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -102.06 166.05 10.83 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.49 153.03 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.3 p -150.92 167.97 25.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.67 -25.52 65.74 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.95 50.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 25.0 111.871 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.08 150.21 5.14 Favored Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.2 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -116.92 138.53 51.47 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -124.71 92.07 3.57 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -124.47 175.56 7.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.659 -0.7 . . . . 25.0 110.344 -170.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -119.49 111.89 18.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.08 104.58 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.0 mt -85.43 121.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.514 . . . . 25.0 106.914 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.59 158.83 15.8 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.57 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 122.993 1.377 . . . . 25.0 114.23 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -149.78 42.29 0.87 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.224 1.565 . . . . 25.0 115.224 -169.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 70.1 41.47 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.192 2.293 . . . . 25.0 117.192 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.6 21.31 1.09 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 N-CA-C 110.241 -0.715 . . . . 25.0 110.241 166.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.57 5.83 0.51 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.749 1.62 . . . . 25.0 115.248 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -139.7 29.49 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.243 0.617 . . . . 25.0 111.342 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.67 155.65 21.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 175.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -111.63 123.13 49.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.384 1.088 . . . . 25.0 111.502 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -106.69 115.3 29.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.176 -1.787 . . . . 25.0 106.176 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.09 113.41 26.63 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.966 -0.459 . . . . 25.0 110.648 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.42 14.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.27 -29.04 68.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.933 -0.48 . . . . 25.0 111.013 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.06 -15.59 62.02 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.4 -17.28 37.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.23 -50.41 4.25 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 108.557 -1.817 . . . . 25.0 108.557 -168.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 t80 66.43 170.73 0.24 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.9 1.28 . . . . 25.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.8 p -118.24 -35.03 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.74 18.9 Favored Glycine 0 CA--C 1.507 -0.441 0 N-CA-C 110.37 -1.092 . . . . 25.0 110.37 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.56 130.34 56.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.07 43.54 0.2 Allowed Glycine 0 C--O 1.221 -0.697 0 C-N-CA 120.83 -0.7 . . . . 25.0 111.789 -175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 58.89 26.04 14.4 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.47 8.18 83.6 Favored Glycine 0 C--N 1.328 0.11 0 N-CA-C 117.373 1.709 . . . . 25.0 117.373 169.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -123.57 169.52 11.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.999 0.9 . . . . 25.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.6 36.67 27.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.902 0.881 . . . . 25.0 109.621 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.15 -14.52 7.95 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.8 p -73.45 172.09 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.661 0.73 . . . . 25.0 110.542 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -104.04 168.53 9.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.532 0.682 . . . . 25.0 109.979 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.11 152.85 38.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.1 140.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -146.56 136.58 23.46 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.82 126.94 72.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 p -120.83 127.41 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.84 -19.81 58.62 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -66.8 -26.97 67.2 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.653 0.739 . . . . 25.0 109.961 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.54 -8.7 34.69 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.184 -1.166 . . . . 25.0 110.184 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 51.54 35.11 13.73 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.115 0.966 . . . . 25.0 110.569 -175.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -128.56 147.27 50.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.36 -0.837 . . . . 25.0 112.979 -173.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.2 t -116.7 101.62 8.73 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -88.07 145.92 25.72 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 111.654 -2.521 . . . . 25.0 108.89 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.06 127.94 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -157.99 168.03 28.27 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 t -118.96 151.89 37.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 102.372 -3.195 . . . . 25.0 102.372 175.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.91 6.51 2.0 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.72 -32.92 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.556 0.693 . . . . 25.0 111.057 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.5 p -133.79 139.52 46.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.18 -75.96 0.58 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.952 -1.476 . . . . 25.0 110.617 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.36 -29.13 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.494 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.4 mp0 -76.56 -24.23 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.203 -1.362 . . . . 25.0 110.545 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.79 77.75 0.11 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.161 -1.575 . . . . 25.0 109.161 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 125.02 23.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.8 p -123.17 165.97 15.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.464 -1.698 . . . . 25.0 111.53 -160.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.14 147.31 40.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -144.69 126.83 15.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.91 164.36 25.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -146.28 145.17 30.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.33 132.33 41.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.86 113.24 18.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.33 179.41 26.09 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 106.5 -2.64 . . . . 25.0 106.5 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 145' ' ' ALA . 4.1 m120 -120.98 30.22 6.97 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 16.76 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.34 -30.69 66.49 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.103 -1.814 . . . . 25.0 106.103 170.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.08 -7.35 56.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.331 -0.85 . . . . 25.0 109.478 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.25 41.73 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.21 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.17 121.05 23.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.5 p -160.78 165.79 29.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.5 67.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.22 0.533 . . . . 25.0 111.105 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.25 -32.86 64.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.946 -0.471 . . . . 25.0 109.952 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.26 -38.84 50.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.3 mt -129.67 123.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 121.742 -0.599 . . . . 25.0 111.432 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -95.41 128.46 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -140.5 168.48 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.81 31.56 3.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.306 0.574 . . . . 25.0 111.125 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.12 151.38 37.37 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.64 -0.93 9.56 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.73 135.28 27.24 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 106.014 -1.847 . . . . 25.0 106.014 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.83 -176.97 2.59 Favored 'Trans proline' 0 C--O 1.241 0.653 0 N-CA-C 115.273 1.22 . . . . 25.0 115.273 -174.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.029 -1.462 . . . . 25.0 107.981 178.517 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 110.54 -0.17 . . . . 25.0 110.54 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.1 -13.17 37.36 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 116.736 -1.709 . . . . 25.0 114.146 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -53.84 9.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 174.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.94 156.83 22.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.291 -1.374 . . . . 25.0 107.291 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.44 23.31 5.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.33 42.93 27.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.535 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -70.4 120.38 78.2 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.68 144.53 94.2 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 114.645 -3.103 . . . . 25.0 115.662 -174.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.11 131.74 33.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 105.858 -1.905 . . . . 25.0 105.858 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -88.13 115.32 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-O 123.018 1.39 . . . . 25.0 107.358 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.09 -139.09 3.43 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 112.973 -1.921 . . . . 25.0 110.504 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -119.42 162.95 17.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.044 0.45 . . . . 25.0 110.505 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -86.48 3.02 45.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 25.0 109.828 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.83 177.18 9.02 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 170.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.55 111.31 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -88.61 124.34 33.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -111.92 95.19 5.34 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 102.592 -3.114 . . . . 25.0 102.592 165.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.1 mt -140.95 153.83 45.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -129.88 150.21 51.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.951 0.881 . . . . 25.0 111.339 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.92 -38.92 2.25 Favored Glycine 0 CA--C 1.494 -1.259 0 CA-C-N 113.944 -1.48 . . . . 25.0 111.428 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 p 46.75 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.697 -1.251 . . . . 25.0 111.566 -176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.27 -10.51 11.15 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 137.81 58.07 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.41 3.17 Favored Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.567 -1.013 . . . . 25.0 110.567 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -148.01 151.37 35.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -141.11 153.98 45.69 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 113.536 0.939 . . . . 75.0 113.536 -174.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.488 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -97.49 137.18 25.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.888 -1.506 . . . . 25.0 110.429 -163.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 t -111.92 147.45 35.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.44 73.8 0.12 Allowed Glycine 0 C--N 1.318 -0.447 0 C-N-CA 119.872 -1.156 . . . . 25.0 112.685 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.37 -76.06 0.03 OUTLIER Glycine 0 C--O 1.236 0.279 0 N-CA-C 119.475 2.55 . . . . 25.0 119.475 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.67 -176.07 11.38 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-O 122.642 1.135 . . . . 25.0 113.867 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.35 165.07 4.22 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 116.984 1.553 . . . . 25.0 116.984 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 81.6 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -78.85 152.89 31.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -130.34 104.11 7.08 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.81 121.26 31.4 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 -170.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.59 136.33 50.93 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.57 -5.41 5.01 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-O 118.907 -0.941 . . . . 25.0 115.059 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 19.62 -98.86 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.22 166.98 54.03 Favored Glycine 0 C--O 1.256 1.479 0 CA-C-O 122.901 1.278 . . . . 25.0 115.427 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.79 167.5 35.08 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 113.801 -1.2 . . . . 25.0 110.737 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.48 136.34 19.96 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 106.797 -2.521 . . . . 25.0 106.797 170.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -127.87 155.74 43.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.194 0.497 . . . . 50.0 110.096 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 2.6 mt -143.97 98.13 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.65 133.11 55.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -168.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CG ' ' HE ' ' A' ' 64' ' ' ARG . 2.6 m-20 -118.61 118.36 31.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 171.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.23 -23.22 52.39 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.414 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 63.16 -158.29 38.62 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-O 125.586 2.77 . . . . 25.0 114.221 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.59 149.03 36.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 109.283 -3.459 . . . . 25.0 111.8 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.21 -173.75 29.2 Favored Glycine 0 C--N 1.312 -0.797 0 CA-C-N 113.575 -1.648 . . . . 25.0 115.043 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -98.28 104.05 16.05 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.015 -2.217 . . . . 25.0 105.015 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -112.16 147.45 36.12 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -113.69 109.52 18.72 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.1 mt -120.68 103.03 8.8 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 119.825 -0.131 . . . . 25.0 111.087 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.79 139.38 36.56 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.381 -0.824 . . . . 25.0 109.953 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.52 -16.88 2.46 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.951 1.54 . . . . 25.0 116.951 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.84 -133.49 36.11 Favored Glycine 0 N--CA 1.433 -1.522 0 CA-C-O 126.199 3.11 . . . . 25.0 117.168 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.96 145.62 52.4 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 108.322 -3.939 . . . . 25.0 110.753 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.44 162.05 36.08 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.456 0.942 . . . . 25.0 115.456 174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.98 67.1 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -68.16 153.02 44.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.856 -1.52 . . . . 50.0 109.603 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -112.57 105.54 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -99.59 121.0 40.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 102.951 -2.981 . . . . 25.0 102.951 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HE ' ' CG ' ' A' ' 46' ' ' ASP . 39.2 ptt180 -118.62 145.41 45.45 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.834 0.826 . . . . 25.0 112.084 -166.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -122.47 100.54 6.99 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.43 -1.259 . . . . 25.0 111.214 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.32 1.5 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.078 -2.564 . . . . 25.0 104.078 161.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.66 90.32 8.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.179 -1.373 . . . . 25.0 110.869 -175.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -86.83 -72.0 0.53 Allowed 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.13 -17.81 63.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.522 1.154 . . . . 25.0 108.234 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -74.42 -7.06 51.68 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-N 114.457 -1.247 . . . . 25.0 111.881 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -131.6 35.43 3.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.337 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.0 164.5 11.68 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.07 151.46 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.85 171.22 17.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.74 66.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.98 -6.79 54.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.706 0.765 . . . . 25.0 112.023 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.42 151.36 5.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.841 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 p -118.83 140.21 50.33 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 122.285 -0.538 . . . . 25.0 109.967 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -123.29 92.11 3.62 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 102.851 -3.018 . . . . 25.0 102.851 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -123.73 177.81 5.53 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.164 -169.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.1 124.99 45.21 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -107.37 104.44 14.03 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -87.23 119.78 35.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -101.7 159.65 15.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.83 80.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.98 43.86 0.98 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -142.93 72.91 18.79 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 118.411 2.745 . . . . 25.0 118.411 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -88.12 22.17 0.92 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 N-CA-C 110.438 -0.639 . . . . 25.0 110.438 164.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.71 6.12 0.81 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.77 1.628 . . . . 25.0 114.525 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -145.32 54.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 154.77 21.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 174.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -111.21 128.95 56.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.39 1.091 . . . . 25.0 113.421 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.09 131.09 54.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.51 115.24 23.05 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.176 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.4 14.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.6 p -66.83 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.014 -0.429 . . . . 25.0 111.578 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.75 -14.26 61.95 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.77 0.285 . . . . 25.0 111.77 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.1 -14.19 39.46 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.11 -51.39 4.4 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 108.818 -1.713 . . . . 25.0 108.818 -169.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 66.24 170.15 0.23 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.928 1.291 . . . . 25.0 109.192 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.5 p -121.2 -32.78 3.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.6 178.05 15.66 Favored Glycine 0 CA--C 1.508 -0.365 0 N-CA-C 108.423 -1.871 . . . . 25.0 108.423 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -122.44 36.33 4.66 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.956 0.884 . . . . 25.0 111.584 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.99 56.46 3.93 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.644 1.018 . . . . 25.0 115.644 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 59.32 26.69 15.58 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.85 7.01 84.63 Favored Glycine 0 CA--C 1.512 -0.102 0 N-CA-C 117.855 1.902 . . . . 25.0 117.855 167.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -123.79 168.68 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.719 0.759 . . . . 25.0 109.557 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.64 37.78 27.51 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.82 0.848 . . . . 25.0 109.661 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.96 -10.45 26.27 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -76.86 172.33 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.778 0.789 . . . . 25.0 110.263 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.44 168.21 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.55 152.87 37.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.8 p -115.88 140.67 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -144.36 134.44 24.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 126.28 71.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 p -120.68 129.89 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 -25.5 59.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -68.83 -25.78 64.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.622 0.725 . . . . 25.0 110.029 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.48 -14.4 38.2 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.83 33.56 14.54 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.243 1.021 . . . . 25.0 110.184 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -131.83 151.33 51.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.543 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -120.86 102.81 8.61 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -88.3 142.14 27.98 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 111.888 -2.415 . . . . 25.0 109.058 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.48 122.7 26.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -157.79 167.26 30.55 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 t -117.53 149.98 39.71 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.974 -2.973 . . . . 25.0 102.974 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.87 4.7 2.56 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.73 -34.1 77.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 111.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.0 p -135.41 138.63 43.46 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -126.29 -63.93 1.07 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.305 -1.316 . . . . 25.0 111.361 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.84 -28.76 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.6 mp0 -77.0 -24.13 52.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.11 -1.405 . . . . 25.0 110.458 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.8 80.44 0.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 106.231 -2.748 . . . . 25.0 106.231 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 118.94 9.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 122.955 1.36 . . . . 25.0 109.144 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -179.37 5.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 112.211 -2.268 . . . . 25.0 110.148 -164.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -104.92 154.91 19.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.573 0.225 . . . . 25.0 110.977 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.82 129.33 16.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.695 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.86 164.02 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 93.0 p -146.67 152.7 39.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.54 133.62 38.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.87 111.93 18.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.0 177.8 24.34 Favored Glycine 0 N--CA 1.438 -1.207 0 N-CA-C 106.764 -2.534 . . . . 25.0 106.764 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.3 m120 -119.29 28.72 8.05 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 15.85 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.9 -29.35 63.08 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 169.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.13 -8.86 57.75 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.177 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.83 39.12 3.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.923 -0.581 . . . . 25.0 109.967 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.03 117.82 16.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.1 p -160.12 164.77 32.72 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.198 0.523 . . . . 25.0 110.852 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.35 -33.36 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.131 -0.356 . . . . 25.0 110.235 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.79 -41.46 37.24 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.267 0.469 . . . . 25.0 112.267 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.44 123.73 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.858 -0.526 . . . . 25.0 112.304 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.76 132.08 42.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -140.95 168.58 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.3 31.55 3.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 111.41 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.78 149.96 36.61 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.71 0.65 7.92 Favored 'Trans proline' 0 C--N 1.353 0.796 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.97 134.33 25.6 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 105.13 -2.174 . . . . 25.0 105.13 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.99 -178.28 3.44 Favored 'Trans proline' 0 C--O 1.243 0.743 0 N-CA-C 115.355 1.252 . . . . 25.0 115.355 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 116.593 -1.67 . . . . 25.0 106.618 176.969 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.23 -13.55 38.17 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 116.316 -1.99 . . . . 25.0 114.026 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -52.4 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 25.0 110.345 175.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.78 157.44 26.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.24 27.9 5.56 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.503 -0.555 . . . . 25.0 109.503 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.44 38.85 30.04 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.827 0.851 . . . . 25.0 111.087 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -67.28 120.8 75.16 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -63.42 149.19 91.78 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 115.293 -2.671 . . . . 25.0 115.118 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.34 129.61 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.87 -1.9 . . . . 25.0 105.87 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.93 110.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 122.787 1.279 . . . . 25.0 108.078 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.77 -139.37 3.36 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 113.322 -1.763 . . . . 25.0 110.091 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -122.63 166.0 15.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.92 0.391 . . . . 25.0 110.258 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -85.98 2.4 46.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 25.0 109.636 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.72 175.95 10.23 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.21 112.48 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.742 -1.577 . . . . 25.0 106.742 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -89.7 136.27 33.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.2 95.08 4.55 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 102.533 -3.136 . . . . 25.0 102.533 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 mt -140.76 153.95 46.08 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -174.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -131.81 149.83 52.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.825 0.822 . . . . 25.0 111.786 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.418 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.15 -41.02 1.86 Allowed Glycine 0 CA--C 1.497 -1.053 0 CA-C-N 113.929 -1.487 . . . . 25.0 110.723 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.7 p 44.99 -145.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.849 -1.175 . . . . 25.0 111.399 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.57 -11.44 11.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -170.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.31 140.47 57.98 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.53 48.01 3.95 Favored Glycine 0 C--O 1.222 -0.611 0 N-CA-C 110.294 -1.122 . . . . 25.0 110.294 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 157.88 43.75 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.2 tp10 -140.9 -179.59 6.15 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.027 0.751 . . . . 75.0 113.027 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 23.7 mm -109.12 136.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.286 0.634 . . . . 25.0 111.393 -167.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -117.28 153.63 32.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 171.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.9 71.41 0.05 OUTLIER Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.108 -1.044 . . . . 25.0 112.285 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -74.83 0.04 OUTLIER Glycine 0 C--O 1.237 0.289 0 N-CA-C 119.426 2.53 . . . . 25.0 119.426 -168.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.02 11.05 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-O 122.647 1.137 . . . . 25.0 113.884 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.7 164.05 4.14 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.98 1.552 . . . . 25.0 116.98 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.85 81.3 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -79.8 151.04 30.52 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.675 0.991 . . . . 50.0 113.675 -170.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -127.38 106.28 9.1 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 105.094 -2.187 . . . . 25.0 105.094 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.63 123.9 36.71 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -111.8 136.13 51.49 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.34 -11.05 1.38 Allowed Glycine 0 C--O 1.211 -1.295 0 N-CA-C 115.48 0.952 . . . . 25.0 115.48 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 19.09 -96.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.275 2.695 . . . . 25.0 118.275 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.93 167.77 54.53 Favored Glycine 0 C--O 1.257 1.587 0 CA-C-O 122.533 1.074 . . . . 25.0 115.625 -174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.53 166.05 34.03 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.196 -1.002 . . . . 25.0 110.675 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.27 132.19 11.88 Favored Glycine 0 C--N 1.317 -0.485 0 N-CA-C 106.887 -2.485 . . . . 25.0 106.887 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -127.1 156.17 42.15 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.919 0.36 . . . . 50.0 111.696 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -139.67 103.18 4.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.1 133.02 53.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -171.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.4 113.22 15.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.433 -1.691 . . . . 25.0 106.433 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.05 67.47 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.679 1.431 . . . . 25.0 116.679 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.25 -157.76 39.74 Favored Glycine 0 N--CA 1.425 -2.046 0 CA-C-O 125.41 2.672 . . . . 25.0 113.597 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 149.05 37.1 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 109.405 -3.397 . . . . 25.0 111.917 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.48 -174.73 28.59 Favored Glycine 0 C--N 1.313 -0.703 0 CA-C-N 113.521 -1.672 . . . . 25.0 114.988 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -97.57 104.37 16.39 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.599 -2.371 . . . . 25.0 104.599 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -111.57 149.38 31.52 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.765 1.024 . . . . 50.0 113.765 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -117.48 109.34 16.62 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.1 mt -121.69 99.47 6.48 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.548 0.574 . . . . 25.0 112.548 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.13 145.02 24.84 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.082 -1.011 . . . . 25.0 111.158 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.53 -2.14 1.55 Allowed Glycine 0 N--CA 1.464 0.56 0 N-CA-C 117.436 1.735 . . . . 25.0 117.436 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 29.81 -127.49 0.12 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 120.315 2.886 . . . . 25.0 120.315 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.47 143.57 39.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 109.859 -3.171 . . . . 25.0 111.442 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.46 161.42 33.7 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.09 68.32 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -72.29 156.02 39.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.953 -1.476 . . . . 50.0 109.911 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -112.07 108.66 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.642 0.734 . . . . 25.0 109.091 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -101.45 124.04 46.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 102.407 -3.183 . . . . 25.0 102.407 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -123.69 142.47 51.04 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.849 0.833 . . . . 25.0 111.834 -165.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.09 102.74 8.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.493 -1.23 . . . . 25.0 112.262 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.64 2.27 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.096 -2.557 . . . . 25.0 104.096 160.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 90.72 8.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.237 -1.347 . . . . 25.0 111.033 -175.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -86.67 -72.8 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.276 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.1 -17.98 63.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.631 1.205 . . . . 25.0 108.247 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.42 -9.83 59.1 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 114.253 -1.34 . . . . 25.0 111.733 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -131.82 40.74 3.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.384 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -102.46 164.41 11.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.67 151.58 46.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.8 p -150.84 169.45 21.65 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.406 -1.702 . . . . 25.0 106.406 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -25.11 66.97 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.3 -4.83 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.694 . . . . 25.0 112.176 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.59 154.25 6.09 Favored Glycine 0 C--N 1.317 -0.476 0 CA-C-N 115.209 -0.905 . . . . 25.0 113.588 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.65 140.15 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.75 92.28 3.57 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.338 -2.467 . . . . 25.0 104.338 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 p -120.57 178.87 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.997 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -120.35 110.31 16.39 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.51 104.73 16.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.9 mt -84.43 123.51 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.423 -1.325 . . . . 25.0 107.423 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.79 158.75 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.01 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.08 1.352 . . . . 25.0 114.53 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -150.53 44.47 0.86 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 115.729 1.751 . . . . 25.0 115.729 -169.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -141.72 72.53 24.45 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -87.13 21.79 1.01 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.466 -0.628 . . . . 25.0 110.466 164.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.41 4.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 125.832 1.653 . . . . 25.0 114.983 -171.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -139.43 31.45 2.11 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.298 0.639 . . . . 25.0 110.802 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.85 155.91 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -111.16 130.62 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.224 1.012 . . . . 25.0 112.913 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -120.79 134.34 55.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 105.364 -2.087 . . . . 25.0 105.364 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -122.03 116.49 24.38 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.34 13.86 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -67.4 -27.63 67.24 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.935 -0.478 . . . . 25.0 111.356 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.07 -14.69 61.92 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.628 0.251 . . . . 25.0 111.648 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.64 -13.6 36.73 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 -51.43 4.5 Favored Glycine 0 C--O 1.237 0.318 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 -169.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.0 t80 67.08 169.04 0.25 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.192 1.397 . . . . 25.0 109.592 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.6 p -118.07 -32.66 4.67 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.13 177.88 15.33 Favored Glycine 0 CA--C 1.509 -0.344 0 N-CA-C 108.528 -1.829 . . . . 25.0 108.528 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 tp -122.33 40.12 3.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.048 0.928 . . . . 25.0 111.081 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.22 56.67 4.39 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 115.258 -0.883 . . . . 25.0 114.87 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 58.61 26.13 14.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.56 1.689 . . . . 25.0 115.56 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.76 7.51 84.07 Favored Glycine 0 CA--C 1.511 -0.16 0 N-CA-C 117.728 1.851 . . . . 25.0 117.728 168.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -121.48 167.86 12.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.06 0.93 . . . . 25.0 109.844 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.37 38.17 28.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.799 0.839 . . . . 25.0 109.921 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.23 -9.94 30.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 115.269 0.867 . . . . 25.0 115.269 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.3 p -76.72 171.89 13.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.727 0.763 . . . . 25.0 110.073 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.3 168.92 8.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.8 152.77 41.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.37 141.2 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.4 t -146.22 149.26 33.58 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.591 -2.003 . . . . 25.0 105.591 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.67 131.51 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -121.0 122.28 39.8 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.87 -19.55 51.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.562 0.949 . . . . 25.0 113.562 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.59 -26.35 66.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.402 0.62 . . . . 25.0 109.988 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.91 -4.72 39.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.225 -1.15 . . . . 25.0 110.225 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.74 33.82 9.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.279 1.031 . . . . 25.0 111.635 -176.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -125.64 145.3 50.22 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -116.18 103.13 10.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 104.044 -2.576 . . . . 25.0 104.044 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -88.05 142.52 27.71 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 110.942 -2.844 . . . . 25.0 108.769 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.91 125.34 41.39 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -157.88 166.73 31.9 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -116.86 153.29 32.78 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 102.469 -3.16 . . . . 25.0 102.469 174.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.04 3.87 2.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.49 -33.42 75.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.491 0.663 . . . . 25.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.2 p -135.82 138.47 42.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.33 -72.44 0.52 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.033 -1.44 . . . . 25.0 110.01 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.08 59.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.3 mp0 -80.18 -22.21 42.18 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.163 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.11 81.5 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 108.458 -1.857 . . . . 25.0 108.458 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 119.82 10.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.697 1.237 . . . . 25.0 109.616 -174.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -179.85 5.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.299 -2.228 . . . . 25.0 111.406 -164.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -99.42 157.17 16.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.507 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -145.4 130.48 18.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.929 0.491 . . . . 25.0 109.893 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.22 165.94 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.3 t -146.74 148.24 31.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.46 131.14 39.55 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -81.26 110.08 16.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 153.17 -178.47 30.21 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 106.584 -2.606 . . . . 25.0 106.584 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 145' ' ' ALA . 4.4 m120 -122.75 32.31 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 16.83 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.71 -29.59 64.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.4 -6.71 57.42 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.317 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.87 3.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.32 124.72 29.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.2 p -162.24 165.75 26.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.25 68.68 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.121 0.486 . . . . 25.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.51 -31.83 67.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.04 -0.413 . . . . 25.0 110.045 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.52 -42.43 43.23 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.076 -0.39 . . . . 25.0 111.801 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.8 mt -129.03 123.28 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.9 tp -93.59 131.62 38.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -140.06 168.71 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.75 31.46 3.34 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.315 0.579 . . . . 25.0 111.155 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.97 150.38 38.2 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.76 0.53 8.11 Favored 'Trans proline' 0 C--N 1.353 0.787 0 N-CA-C 115.106 1.156 . . . . 25.0 115.106 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 2.8 p -123.73 133.11 24.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.16 -178.22 3.45 Favored 'Trans proline' 0 C--O 1.243 0.765 0 N-CA-C 115.781 1.416 . . . . 25.0 115.781 -172.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.253 1.237 0 CA-C-O 116.64 -1.648 . . . . 25.0 107.051 178.255 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 110.453 -0.203 . . . . 25.0 110.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.92 -13.65 39.02 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 116.413 -1.925 . . . . 25.0 114.134 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.46 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 174.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.82 156.79 25.7 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -127.97 23.72 6.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.33 41.67 28.77 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.163 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -63.85 127.84 92.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.87 131.34 39.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 116.291 -2.006 . . . . 25.0 114.323 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -82.03 129.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -84.3 112.3 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 123.191 1.472 . . . . 25.0 109.318 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.39 -137.18 2.16 Favored Glycine 0 C--N 1.312 -0.773 0 CA-C-N 112.735 -2.029 . . . . 25.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -125.48 164.03 21.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.235 -0.568 . . . . 25.0 110.255 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -86.7 3.51 44.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.464 0.65 . . . . 25.0 109.933 173.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -82.49 177.6 8.65 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -67.62 111.31 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -88.68 131.78 34.86 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -119.58 95.19 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 102.537 -3.134 . . . . 25.0 102.537 166.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.92 153.64 45.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -131.74 149.94 52.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.859 0.838 . . . . 25.0 111.847 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.8 -41.57 1.69 Allowed Glycine 0 CA--C 1.496 -1.102 0 CA-C-N 113.973 -1.467 . . . . 25.0 111.136 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 p 44.92 -141.16 0.28 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 113.858 -1.171 . . . . 25.0 110.864 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.16 -13.23 11.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.837 2.162 . . . . 25.0 116.837 -171.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 136.6 58.12 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.67 42.49 3.13 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.94 148.0 30.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 105.682 -1.969 . . . . 25.0 105.682 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -139.79 154.19 47.32 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 115.852 1.797 . . . . 75.0 115.852 -173.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.532 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.51 139.36 17.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 113.848 -1.524 . . . . 25.0 113.071 -165.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.3 t -111.66 150.5 30.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.24 69.15 0.09 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 119.548 -1.311 . . . . 25.0 114.491 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.71 0.03 OUTLIER Glycine 0 C--O 1.236 0.23 0 N-CA-C 119.797 2.679 . . . . 25.0 119.797 -168.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.78 -176.21 11.86 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 122.643 1.135 . . . . 25.0 114.196 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.0 169.25 4.81 Favored Glycine 0 C--N 1.311 -0.816 0 N-CA-C 117.177 1.631 . . . . 25.0 117.177 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.93 82.48 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.4 152.38 28.89 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -130.48 105.3 7.77 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.61 122.06 33.97 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 105.197 -2.149 . . . . 25.0 105.197 -170.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -112.77 135.98 52.9 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.5 -10.85 2.56 Favored Glycine 0 C--O 1.205 -1.69 0 N-CA-C 115.554 0.982 . . . . 25.0 115.554 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 20.41 -98.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 118.734 2.864 . . . . 25.0 118.734 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.65 164.69 54.7 Favored Glycine 0 C--O 1.247 0.944 0 O-C-N 120.782 -1.199 . . . . 25.0 115.965 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.28 168.59 33.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-O 121.782 0.657 . . . . 25.0 111.465 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.7 133.68 16.08 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 107.504 -2.238 . . . . 25.0 107.504 171.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -127.86 155.71 43.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.417 0.609 . . . . 50.0 110.165 -170.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.4 tt -143.65 98.41 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -124.07 145.01 49.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.501 -166.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.86 147.91 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 171.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.05 -27.22 7.48 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 115.693 1.037 . . . . 25.0 115.693 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.95 -157.99 45.42 Favored Glycine 0 N--CA 1.423 -2.172 0 CA-C-O 125.073 2.485 . . . . 25.0 111.606 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.85 148.03 31.53 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.752 -3.224 . . . . 25.0 111.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.11 -171.06 28.02 Favored Glycine 0 C--N 1.312 -0.787 0 CA-C-N 113.754 -1.566 . . . . 25.0 113.906 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -104.2 107.6 18.59 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -114.14 158.09 21.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -122.84 110.32 15.29 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -121.78 103.12 8.64 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 111.658 0.244 . . . . 25.0 111.658 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.05 144.3 27.7 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.137 -0.977 . . . . 25.0 110.901 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.0 -14.15 1.13 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 116.393 1.317 . . . . 25.0 116.393 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.48 -127.94 5.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 125.514 2.73 . . . . 25.0 118.266 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.12 144.01 41.83 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 109.166 -3.517 . . . . 25.0 111.61 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.62 162.4 38.2 Favored Glycine 0 C--O 1.245 0.796 0 N-CA-C 115.699 1.04 . . . . 25.0 115.699 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.46 67.88 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.63 154.09 41.43 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.983 -1.462 . . . . 50.0 109.422 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 m -114.42 96.6 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.718 0.77 . . . . 25.0 109.301 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.207 -2.146 . . . . 25.0 105.207 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -111.87 138.33 48.62 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.4 0.619 . . . . 25.0 111.008 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.07 95.54 4.65 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.246 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.5 4.16 40.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 166.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.38 94.81 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.081 -1.418 . . . . 25.0 110.46 -175.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -86.85 -73.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.255 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -69.31 -20.19 63.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.65 1.214 . . . . 25.0 108.205 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -74.99 -9.03 58.15 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 t -131.85 38.0 3.58 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.064 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.04 164.32 11.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -143.13 153.24 42.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.309 1.226 . . . . 25.0 114.309 -177.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.1 p -150.43 168.65 23.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.95 65.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.53 -5.45 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 25.0 112.03 178.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.93 148.43 4.74 Favored Glycine 0 C--N 1.315 -0.606 0 CA-C-N 115.115 -0.948 . . . . 25.0 113.893 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.89 141.11 48.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -125.43 91.96 3.52 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 103.7 -2.704 . . . . 25.0 103.7 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.5 p -123.74 -162.07 1.03 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.746 -0.661 . . . . 25.0 110.475 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.18 116.36 9.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.57 104.61 16.66 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -82.76 124.9 39.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -101.42 165.73 11.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 22.18 79.25 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.869 2.174 . . . . 25.0 116.869 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.94 40.28 1.51 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 113.644 -1.616 . . . . 25.0 114.524 -171.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -137.89 69.9 50.43 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 117.414 2.375 . . . . 25.0 117.414 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -87.79 21.03 1.08 Allowed 'Trans proline' 0 CA--C 1.541 0.839 0 N-CA-C 109.994 -0.81 . . . . 25.0 109.994 163.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 58.96 5.72 0.55 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.868 1.667 . . . . 25.0 114.582 -170.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -144.27 52.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.74 154.4 21.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -111.31 129.73 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.105 0.955 . . . . 25.0 112.779 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.02 125.76 44.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -108.03 117.08 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.066 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.44 12.86 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -70.19 -22.51 62.94 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.907 -0.495 . . . . 25.0 110.863 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.79 63.37 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.639 0.257 . . . . 25.0 111.096 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.9 mt -93.02 -10.37 36.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.1 -49.4 4.23 Favored Glycine 0 C--O 1.237 0.282 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.9 t80 68.61 168.65 0.28 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.262 1.425 . . . . 25.0 109.119 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -119.72 -31.54 4.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -174.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.75 -179.82 17.09 Favored Glycine 0 CA--C 1.51 -0.276 0 N-CA-C 108.867 -1.693 . . . . 25.0 108.867 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tp -122.87 44.62 2.6 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.066 0.933 . . . . 25.0 111.901 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' H ' ' HB ' ' A' ' 110' ' ' THR . . . -80.75 55.33 4.72 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 115.508 -0.769 . . . . 25.0 114.213 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.04 28.38 16.21 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.518 1.673 . . . . 25.0 115.518 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.82 6.5 85.22 Favored Glycine 0 C--N 1.326 -0.023 0 N-CA-C 117.731 1.852 . . . . 25.0 117.731 168.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -123.21 168.92 11.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 117.799 0.8 . . . . 25.0 109.684 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.81 37.8 27.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.813 0.845 . . . . 25.0 109.648 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.95 -10.2 27.48 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.251 0.861 . . . . 25.0 115.251 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.406 ' HB ' ' H ' ' A' ' 104' ' ' GLY . 33.1 p -76.93 171.51 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.695 0.748 . . . . 25.0 110.535 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -104.38 170.75 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.09 152.53 48.58 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.37 146.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -144.77 149.99 36.45 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.82 132.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.73 122.3 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.49 -29.48 52.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.114 0.483 . . . . 25.0 111.172 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.03 -26.59 65.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 25.0 109.923 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.53 52.64 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.93 34.14 13.05 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.206 1.003 . . . . 25.0 111.287 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.508 -174.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -128.17 108.7 10.84 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 103.815 -2.661 . . . . 25.0 103.815 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -93.39 145.04 24.77 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.62 -2.536 . . . . 25.0 108.993 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.73 128.18 40.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -157.94 167.68 29.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.44 150.35 37.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.31 5.96 2.53 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.85 -33.75 76.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.584 0.707 . . . . 25.0 111.062 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -135.0 137.08 42.66 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 105.742 -1.947 . . . . 25.0 105.742 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.93 -65.57 1.05 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.491 -1.231 . . . . 25.0 111.639 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.69 -29.41 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.5 mp0 -76.04 -24.57 55.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.185 -1.37 . . . . 25.0 110.563 -175.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.63 79.43 0.12 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 105.895 -2.882 . . . . 25.0 105.895 -176.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.7 6.16 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.97 1.367 . . . . 25.0 109.584 -174.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.68 -179.87 5.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 111.649 -2.523 . . . . 25.0 109.726 -164.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.88 156.21 17.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -144.72 133.08 21.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.046 0.538 . . . . 25.0 109.791 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.73 164.13 26.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 106.598 -1.631 . . . . 25.0 106.598 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.38 146.48 32.55 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.98 131.63 39.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -79.62 114.08 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.54 179.36 21.75 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 106.783 -2.527 . . . . 25.0 106.783 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.2 m120 -120.35 32.18 6.13 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 18.12 0.07 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 122.112 0.958 . . . . 25.0 113.504 -174.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -70.47 -32.11 69.51 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 170.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.31 55.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.203 -0.908 . . . . 25.0 109.645 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.69 42.07 3.38 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.035 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.0 124.91 32.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.438 -1.69 . . . . 25.0 106.438 175.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.0 p -161.79 167.58 24.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.13 -29.34 67.37 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.062 0.458 . . . . 25.0 110.934 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -72.41 -29.89 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.917 -0.489 . . . . 25.0 110.251 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -80.2 -44.45 19.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.87 -0.519 . . . . 25.0 111.903 173.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.78 127.02 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.6 tp -100.45 128.03 46.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.04 167.79 21.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.124 -1.436 . . . . 25.0 107.124 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.4 31.29 3.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.334 0.588 . . . . 25.0 111.357 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.84 149.35 35.64 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.88 0.66 8.0 Favored 'Trans proline' 0 C--N 1.352 0.743 0 N-CA-C 114.897 1.076 . . . . 25.0 114.897 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 6.6 p -125.88 134.73 26.18 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.464 -2.05 . . . . 25.0 105.464 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.02 -177.57 3.01 Favored 'Trans proline' 0 C--O 1.244 0.785 0 N-CA-C 115.628 1.357 . . . . 25.0 115.628 -173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.253 1.241 0 CA-C-O 116.508 -1.711 . . . . 25.0 107.596 178.656 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.77 -14.32 41.3 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 116.195 -2.07 . . . . 25.0 113.972 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -49.13 22.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.505 0.193 . . . . 25.0 110.505 175.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.25 155.53 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.06 28.03 5.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.84 43.94 26.79 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.144 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -76.16 118.96 75.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.28 141.89 94.4 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 114.066 -3.489 . . . . 25.0 115.48 -175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 131.36 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.04 113.62 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 123.125 1.441 . . . . 25.0 108.395 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.04 -135.85 1.77 Allowed Glycine 0 C--N 1.315 -0.625 0 CA-C-N 112.776 -2.011 . . . . 25.0 110.174 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -128.85 170.26 13.6 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.094 -0.651 . . . . 25.0 110.374 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -87.52 3.06 48.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.575 0.702 . . . . 25.0 109.119 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 tp -79.58 174.41 11.61 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -70.09 100.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -87.38 118.88 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.23 94.96 5.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 165.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.93 153.94 51.88 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -129.97 150.67 51.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.703 0.764 . . . . 25.0 111.814 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.94 -37.41 2.54 Favored Glycine 0 C--N 1.321 -0.277 0 CA-C-N 113.851 -1.522 . . . . 25.0 112.109 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.1 p 46.38 -145.57 0.21 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 113.442 -1.379 . . . . 25.0 110.881 -174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.64 -6.94 3.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.21 2.3 . . . . 25.0 117.21 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 138.42 58.31 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.61 43.73 3.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -147.84 147.4 29.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.769 -1.567 . . . . 25.0 106.769 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 2.6 tp10 -140.98 154.35 46.0 Favored 'General case' 0 C--O 1.176 -2.806 0 N-CA-C 117.623 2.453 . . . . 75.0 117.623 -172.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.48 141.35 14.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 113.65 -1.614 . . . . 25.0 111.569 -165.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -113.98 150.01 34.48 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.124 2.17 . . . . 25.0 105.478 171.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 73.11 0.07 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 119.866 -1.159 . . . . 25.0 115.826 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.99 -77.55 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 N-CA-C 120.013 2.765 . . . . 25.0 120.013 -168.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.76 -175.67 10.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 122.554 1.086 . . . . 25.0 114.332 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.18 168.2 5.59 Favored Glycine 0 C--N 1.312 -0.75 0 N-CA-C 116.485 1.354 . . . . 25.0 116.485 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 82.35 3.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -79.08 153.37 30.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -130.69 104.63 7.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 104.822 -2.288 . . . . 25.0 104.822 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.12 116.14 21.59 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -171.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.08 136.11 49.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.22 -0.71 5.85 Favored Glycine 0 C--O 1.215 -1.05 0 CA-C-O 118.401 -1.222 . . . . 25.0 115.465 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 18.7 -101.32 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.49 168.09 54.69 Favored Glycine 0 C--O 1.274 2.596 0 N-CA-C 115.236 0.854 . . . . 25.0 115.236 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.2 164.78 34.93 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 120.111 -1.042 . . . . 25.0 111.085 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.2 134.8 14.81 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 105.67 -2.972 . . . . 25.0 105.67 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -125.58 157.34 37.38 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 -168.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.8 tt -144.63 97.89 3.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.49 145.23 50.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.057 -164.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -138.99 147.74 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.95 9.26 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 116.388 1.315 . . . . 25.0 116.388 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 63.82 -156.31 43.85 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.115 2.508 . . . . 25.0 112.121 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.12 148.37 40.81 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 109.802 -3.199 . . . . 25.0 111.713 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.56 -172.33 27.34 Favored Glycine 0 C--N 1.312 -0.789 0 CA-C-N 113.728 -1.578 . . . . 25.0 115.185 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -100.19 105.92 17.56 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -114.52 155.26 26.77 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -169.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -121.48 109.72 15.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.195 -1.409 . . . . 25.0 107.195 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.5 mt -120.99 112.68 19.04 Favored 'General case' 0 C--O 1.209 -1.053 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.77 141.02 47.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.063 0.847 . . . . 25.0 110.72 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.47 -10.86 2.29 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 116.932 1.533 . . . . 25.0 116.932 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.76 -125.97 7.98 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-O 125.4 2.667 . . . . 25.0 117.301 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.25 146.18 51.61 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 109.582 -3.309 . . . . 25.0 110.769 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.48 161.09 36.86 Favored Glycine 0 C--O 1.244 0.766 0 N-CA-C 115.14 0.816 . . . . 25.0 115.14 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.9 68.63 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.89 -1.522 . . . . 25.0 106.89 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -66.13 153.09 43.29 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.165 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 m -113.37 96.0 5.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.663 0.744 . . . . 25.0 109.06 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -86.99 126.34 34.67 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -109.2 138.57 45.34 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.551 0.691 . . . . 25.0 110.207 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -121.22 98.0 5.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.75 2.21 32.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.418 -2.438 . . . . 25.0 104.418 165.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.19 89.78 7.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.403 -176.493 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -86.8 -72.39 0.51 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.866 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -70.93 -18.1 62.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.54 1.162 . . . . 25.0 107.964 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.29 -7.98 55.4 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-N 114.568 -1.196 . . . . 25.0 112.049 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -130.81 35.92 3.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.17 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.86 165.96 10.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -137.14 155.68 49.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -178.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.3 p -150.86 168.17 25.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.32 66.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -6.08 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.707 0.765 . . . . 25.0 112.285 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.18 151.91 5.53 Favored Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.438 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.1 p -118.88 143.26 47.08 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.852 0.358 . . . . 25.0 110.346 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.5 92.19 3.56 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -120.81 175.79 5.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.708 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.31 113.5 19.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.03 105.57 17.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.77 121.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.4 mt -101.89 160.65 14.3 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.322 -0.236 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 32.81 78.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.116 1.436 . . . . 25.0 114.461 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.36 39.33 0.9 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.65 -1.614 . . . . 25.0 115.171 -170.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -138.94 70.43 42.48 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 117.437 2.384 . . . . 25.0 117.437 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.21 20.89 1.08 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.169 -0.743 . . . . 25.0 110.169 164.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.68 7.03 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.663 1.585 . . . . 25.0 114.509 -170.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -145.15 54.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.8 154.27 24.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.453 -2.055 . . . . 50.0 105.453 174.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 131.6 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 122.226 1.012 . . . . 25.0 113.116 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.0 tp -123.62 133.0 54.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 106.015 -1.846 . . . . 25.0 106.015 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -119.15 111.84 18.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.756 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.38 13.57 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -28.33 68.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.029 -0.42 . . . . 25.0 110.941 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.6 62.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.5 mt -87.62 -16.11 35.39 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.07 -52.01 4.48 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 108.306 -1.918 . . . . 25.0 108.306 -168.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.4 t80 65.87 170.7 0.22 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.037 1.335 . . . . 25.0 109.549 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -120.77 -32.91 3.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 113.635 0.976 . . . . 25.0 113.635 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.28 179.02 16.12 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.16 39.55 3.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.02 0.914 . . . . 25.0 111.589 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.53 56.16 4.45 Favored Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.296 -0.865 . . . . 25.0 115.151 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 58.93 27.5 16.33 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.893 1.812 . . . . 25.0 115.893 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.94 7.4 83.91 Favored Glycine 0 N--CA 1.458 0.114 0 N-CA-C 117.841 1.896 . . . . 25.0 117.841 167.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -124.2 168.38 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.805 0.803 . . . . 25.0 109.701 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.77 38.01 27.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.803 0.841 . . . . 25.0 109.649 -174.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.91 -11.4 21.45 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 115.259 0.864 . . . . 25.0 115.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 p -76.59 171.57 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.793 0.796 . . . . 25.0 110.359 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -104.29 169.35 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 152.89 41.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.14 144.01 24.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 t -146.87 153.29 39.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.12 133.84 60.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.96 122.45 40.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -79.01 -26.52 43.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.049 0.452 . . . . 25.0 111.162 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.75 -26.55 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.444 0.64 . . . . 25.0 109.548 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -8.68 54.3 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.58 30.57 8.74 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 25.0 111.846 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -131.32 152.06 50.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -120.89 105.16 10.43 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.37 143.4 26.86 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 111.329 -2.669 . . . . 25.0 109.376 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -130.64 126.79 37.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.55 168.34 27.57 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.3 t -118.64 152.33 36.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 102.646 -3.094 . . . . 25.0 102.646 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.1 3.19 2.62 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.61 -34.03 76.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.536 0.684 . . . . 25.0 111.209 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.1 p -135.59 138.12 42.64 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -123.03 -66.21 1.04 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.182 -1.372 . . . . 25.0 111.556 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.75 -29.31 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.2 mp0 -75.35 -24.6 57.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.276 -175.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.86 78.86 0.13 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 106.46 -2.656 . . . . 25.0 106.46 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.03 5.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 123.138 1.447 . . . . 25.0 109.496 -175.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 166.0 12.23 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 111.617 -2.538 . . . . 25.0 110.38 -163.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -85.64 154.31 21.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.45 129.68 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.24 166.56 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 149.01 32.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.25 132.44 39.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.06 115.02 19.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.49 179.62 19.49 Favored Glycine 0 N--CA 1.437 -1.241 0 N-CA-C 106.785 -2.526 . . . . 25.0 106.785 -175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.8 m120 -121.02 31.39 6.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 16.56 0.07 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.87 -29.87 64.82 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 170.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.0 -7.13 56.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.417 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.56 3.49 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.68 122.95 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -160.57 164.82 31.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.35 69.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.076 0.465 . . . . 25.0 110.851 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.97 -32.03 66.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.073 -0.392 . . . . 25.0 110.067 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.51 -42.53 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.099 0.409 . . . . 25.0 111.847 174.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.27 124.79 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.8 tp -95.27 132.44 40.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -140.36 168.69 19.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.29 31.28 3.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.344 0.592 . . . . 25.0 111.281 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.79 149.83 37.55 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.92 0.48 8.25 Favored 'Trans proline' 0 C--N 1.352 0.738 0 N-CA-C 114.978 1.107 . . . . 25.0 114.978 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.58 133.63 24.91 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.3 -178.37 3.59 Favored 'Trans proline' 0 C--O 1.243 0.736 0 N-CA-C 115.692 1.382 . . . . 25.0 115.692 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 116.645 -1.645 . . . . 25.0 106.814 177.504 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 N--CA 1.486 1.375 0 N-CA-C 110.531 -0.174 . . . . 25.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.92 -14.76 39.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 116.136 -2.11 . . . . 25.0 113.813 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -43.79 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.612 0.244 . . . . 25.0 110.481 176.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.85 148.93 10.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -112.55 23.3 13.7 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.59 44.55 20.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.093 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -78.48 115.66 53.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.21 145.01 96.31 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 114.625 -3.117 . . . . 25.0 114.537 -176.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.82 133.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.49 116.32 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.71 -139.38 3.33 Favored Glycine 0 C--N 1.313 -0.723 0 CA-C-N 112.88 -1.964 . . . . 25.0 110.869 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -118.34 166.22 12.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.141 0.496 . . . . 25.0 110.836 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -87.24 3.35 46.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.488 0.661 . . . . 25.0 109.573 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -82.67 176.89 9.0 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.537 -1.282 . . . . 25.0 107.537 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.01 111.66 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -93.7 125.02 38.09 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.34 95.1 4.91 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 104.574 -2.38 . . . . 25.0 104.574 165.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -137.82 153.44 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -128.28 149.34 50.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.916 0.865 . . . . 25.0 112.209 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.23 -39.74 2.21 Favored Glycine 0 CA--C 1.496 -1.155 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.573 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p 45.64 -144.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.822 -1.189 . . . . 25.0 111.088 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.56 -10.32 7.8 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.788 2.144 . . . . 25.0 116.788 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 138.13 58.02 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 44.52 3.35 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -150.37 157.88 43.54 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 104.397 -2.446 . . . . 25.0 104.397 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.8 tp10 -140.83 -179.37 6.02 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 123.22 0.325 . . . . 50.0 111.269 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.0 mp -121.08 137.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.926 -168.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -116.17 149.86 38.38 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.03 77.43 0.1 OUTLIER Glycine 0 N--CA 1.464 0.512 0 C-N-CA 119.758 -1.211 . . . . 25.0 113.256 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.3 -77.92 0.02 OUTLIER Glycine 0 C--O 1.238 0.345 0 N-CA-C 119.495 2.558 . . . . 25.0 119.495 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.51 -176.07 11.04 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-O 122.8 1.222 . . . . 25.0 113.733 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.42 165.89 4.71 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 116.934 1.534 . . . . 25.0 116.934 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.9 81.87 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -78.88 152.12 31.39 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.886 1.069 . . . . 50.0 113.886 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -128.96 104.06 7.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.004 -2.221 . . . . 25.0 105.004 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.84 118.33 25.27 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.36 136.19 48.42 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.95 -1.871 . . . . 25.0 105.95 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.59 -6.38 2.65 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 119.036 -0.869 . . . . 25.0 115.248 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 18.33 -95.84 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 118.279 2.696 . . . . 25.0 118.279 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.57 166.46 54.18 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-O 122.512 1.062 . . . . 25.0 115.508 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.65 167.41 34.58 Favored Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 110.764 -0.934 . . . . 25.0 110.764 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.74 133.87 13.71 Favored Glycine 0 C--N 1.313 -0.706 0 N-CA-C 106.962 -2.455 . . . . 25.0 106.962 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.86 154.84 43.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 117.208 0.504 . . . . 50.0 111.1 -170.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.51 101.61 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -125.55 130.16 51.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -168.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.28 121.97 44.53 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 170.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.66 -21.31 54.07 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 115.791 1.076 . . . . 25.0 115.791 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 64.94 -160.25 42.35 Favored Glycine 0 N--CA 1.424 -2.114 0 CA-C-O 125.203 2.557 . . . . 25.0 113.124 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 149.11 30.61 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.682 -3.259 . . . . 25.0 111.944 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -174.03 30.51 Favored Glycine 0 C--N 1.313 -0.731 0 CA-C-N 113.456 -1.702 . . . . 25.0 114.97 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.21 107.18 19.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.64 154.94 25.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.885 -1.052 . . . . 50.0 113.287 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -120.27 108.62 14.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -119.27 109.26 15.61 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.573 -0.251 . . . . 25.0 110.668 -172.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.43 37.9 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.953 0.797 . . . . 25.0 110.381 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.35 -4.94 2.14 Favored Glycine 0 N--CA 1.464 0.559 0 N-CA-C 117.749 1.86 . . . . 25.0 117.749 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 35.9 -125.38 0.81 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 125.196 2.553 . . . . 25.0 118.934 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.08 145.41 46.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 109.851 -3.175 . . . . 25.0 111.575 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.4 161.18 36.4 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 115.518 0.967 . . . . 25.0 115.518 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.66 67.16 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -68.92 153.79 43.17 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.042 -1.436 . . . . 50.0 109.655 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 m -113.01 96.42 5.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.968 0.89 . . . . 25.0 108.753 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -87.42 124.63 33.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 102.411 -3.181 . . . . 25.0 102.411 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -122.98 146.15 47.87 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.81 0.814 . . . . 25.0 111.38 -164.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -123.37 101.76 7.53 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.54 -1.209 . . . . 25.0 111.681 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.65 1.16 37.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.257 -2.498 . . . . 25.0 104.257 161.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.49 90.78 8.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.214 -1.357 . . . . 25.0 110.878 -175.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttt-85 -86.86 -72.74 0.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.904 -1.044 . . . . 25.0 113.278 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.54 1.162 . . . . 25.0 108.16 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -73.85 -8.36 55.77 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 114.363 -1.289 . . . . 25.0 111.704 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -132.0 38.52 3.51 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.421 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -102.0 164.91 11.46 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.23 156.59 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -150.77 170.71 18.57 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.38 -24.13 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -6.16 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.524 0.678 . . . . 25.0 112.557 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.25 153.35 5.89 Favored Glycine 0 C--N 1.316 -0.573 0 CA-C-N 115.279 -0.873 . . . . 25.0 114.194 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.6 140.54 49.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 122.365 -0.491 . . . . 25.0 111.045 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -123.62 91.94 3.58 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.871 -2.64 . . . . 25.0 103.871 175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 p -124.26 177.64 5.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.661 -0.699 . . . . 25.0 110.122 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.02 110.68 18.55 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -90.3 105.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.73 120.33 38.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -101.74 159.55 15.23 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.396 0.278 . . . . 25.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.32 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.86 40.63 0.74 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.639 1.718 . . . . 25.0 115.639 -169.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -140.16 72.07 33.35 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 117.98 2.585 . . . . 25.0 117.98 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -87.63 22.02 0.96 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 N-CA-C 110.405 -0.652 . . . . 25.0 110.405 164.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.36 4.98 0.54 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.803 1.641 . . . . 25.0 114.908 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -138.27 30.69 2.41 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.35 0.66 . . . . 25.0 110.953 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.18 156.57 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 175.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -110.99 128.65 55.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.114 0.959 . . . . 25.0 112.882 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.25 126.93 54.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 105.846 -1.909 . . . . 25.0 105.846 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -116.81 115.75 26.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.34 16.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.198 -0.668 . . . . 25.0 109.198 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -65.74 -31.05 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.064 -0.397 . . . . 25.0 111.974 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.59 -14.08 38.45 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -51.97 4.34 Favored Glycine 0 N--CA 1.454 -0.156 0 N-CA-C 108.54 -1.824 . . . . 25.0 108.54 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 65.67 173.72 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.813 1.245 . . . . 25.0 109.686 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -126.18 -45.56 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 177.07 27.98 Favored Glycine 0 CA--C 1.509 -0.306 0 N-CA-C 106.553 -2.619 . . . . 25.0 106.553 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -127.19 24.36 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.539 1.17 . . . . 25.0 108.824 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.46 66.69 1.95 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.482 1.353 . . . . 25.0 116.482 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 61.66 21.04 11.84 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 25.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.89 71.73 Favored Glycine 0 C--O 1.228 -0.271 0 N-CA-C 118.101 2.0 . . . . 25.0 118.101 166.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -125.63 166.78 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.097 0.948 . . . . 25.0 109.67 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.06 38.87 30.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.622 0.769 . . . . 25.0 110.417 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.73 -10.21 47.15 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -75.58 171.23 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.076 0.938 . . . . 25.0 110.023 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.96 170.82 7.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.267 -1.753 . . . . 25.0 106.267 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.44 152.5 40.19 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 p -115.51 139.93 39.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -146.25 152.82 39.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.608 -1.997 . . . . 25.0 105.608 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.62 134.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.66 122.09 39.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -80.68 -22.98 39.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.97 0.414 . . . . 25.0 111.334 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.9 -26.96 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.8 -8.43 54.29 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.51 30.06 7.92 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.381 1.072 . . . . 25.0 111.913 -176.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -130.28 148.72 52.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.18 0.808 . . . . 25.0 113.18 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -116.96 104.03 10.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 103.634 -2.728 . . . . 25.0 103.634 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -88.29 142.26 27.89 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.979 -2.828 . . . . 25.0 109.026 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -126.82 122.97 36.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -157.75 163.82 37.72 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.6 t -113.52 152.59 30.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.864 -3.013 . . . . 25.0 102.864 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.48 3.83 2.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.139 -0.937 . . . . 25.0 112.915 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.71 -33.07 74.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.617 0.723 . . . . 25.0 110.491 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.9 p -136.85 137.66 39.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 106.393 -1.706 . . . . 25.0 106.393 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.32 -71.33 0.65 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.435 -1.257 . . . . 25.0 110.342 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.77 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.4 mp0 -78.36 -22.14 48.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.957 -175.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -171.34 82.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 106.743 -2.543 . . . . 25.0 106.743 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 117.73 7.52 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 123.281 1.515 . . . . 25.0 109.72 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.24 166.06 12.8 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 111.611 -2.541 . . . . 25.0 110.208 -164.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.79 154.62 18.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.791 -0.641 . . . . 25.0 110.986 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -144.26 132.49 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.839 0.455 . . . . 25.0 110.294 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.64 166.07 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 173.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.1 t -147.77 147.02 29.42 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -130.47 131.59 45.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -78.72 110.29 13.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.75 -177.47 25.99 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 106.588 -2.605 . . . . 25.0 106.588 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 145' ' ' ALA . 4.1 m120 -123.04 30.34 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 13.0 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -174.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.47 -30.02 64.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.307 -1.738 . . . . 25.0 106.307 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.78 60.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.191 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.69 37.95 3.09 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.422 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.97 117.85 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 96.1 p -158.94 166.08 32.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.63 68.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.151 0.5 . . . . 25.0 110.597 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.57 -31.43 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.54 -40.31 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 174.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -128.86 123.45 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -98.51 134.2 41.8 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -142.3 169.4 17.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.68 30.54 3.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.411 0.624 . . . . 25.0 111.231 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.43 150.76 40.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.62 0.53 8.03 Favored 'Trans proline' 0 C--N 1.351 0.701 0 N-CA-C 114.729 1.011 . . . . 25.0 114.729 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.66 140.22 37.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 103.875 -2.639 . . . . 25.0 103.875 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -69.96 171.71 14.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 115.381 -2.612 . . . . 25.0 112.986 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.581 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 110.429 -0.211 . . . . 25.0 110.429 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.0 -14.48 41.21 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 116.174 -2.084 . . . . 25.0 113.978 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -49.32 21.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.55 0.214 . . . . 25.0 110.524 175.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.49 19.91 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -127.97 29.74 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.67 38.95 29.93 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.785 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -70.9 119.45 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -62.25 144.84 95.99 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 114.846 -2.969 . . . . 25.0 114.079 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.54 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.59 116.02 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.62 -138.96 3.16 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 112.966 -1.924 . . . . 25.0 110.71 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.147 0.499 . . . . 25.0 110.707 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -86.9 2.89 47.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 25.0 109.626 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.27 175.84 10.26 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -67.71 111.8 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 173.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -92.61 128.99 38.67 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.582 -1.266 . . . . 50.0 107.582 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 95.27 4.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.1 -2.556 . . . . 25.0 104.1 165.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.41 153.95 47.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -172.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.45 149.14 50.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.93 0.872 . . . . 25.0 112.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.63 -39.7 2.01 Favored Glycine 0 CA--C 1.497 -1.067 0 CA-C-N 113.913 -1.494 . . . . 25.0 111.467 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p 46.54 -146.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.882 -1.159 . . . . 25.0 111.44 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.98 -8.53 5.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.749 2.129 . . . . 25.0 116.749 -170.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.22 137.86 58.04 Favored 'General case' 0 C--O 1.252 1.205 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 46.17 3.62 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 110.299 -1.121 . . . . 25.0 110.299 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -151.42 157.86 42.95 Favored 'General case' 0 C--O 1.253 1.262 0 N-CA-C 104.153 -2.536 . . . . 25.0 104.153 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.95 -179.78 6.27 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.827 0.346 . . . . 50.0 111.595 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.517 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.6 mp -121.47 137.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.025 -168.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -115.04 154.64 28.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.143 -1.799 . . . . 25.0 106.143 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.06 75.21 0.08 OUTLIER Glycine 0 C--N 1.319 -0.363 0 C-N-CA 120.057 -1.068 . . . . 25.0 112.511 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.36 -76.13 0.03 OUTLIER Glycine 0 C--O 1.237 0.31 0 N-CA-C 119.428 2.531 . . . . 25.0 119.428 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.69 -176.45 12.03 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-O 122.767 1.204 . . . . 25.0 113.859 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.02 165.03 4.92 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.844 1.497 . . . . 25.0 116.844 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.16 81.52 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.98 151.62 31.49 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -170.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.4 104.31 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.678 -2.341 . . . . 25.0 104.678 171.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.94 121.74 33.98 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 105.127 -2.175 . . . . 25.0 105.127 -171.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -110.5 135.84 50.55 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.49 -6.95 2.25 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 115.572 0.989 . . . . 25.0 115.572 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 20.08 -100.93 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.21 167.81 54.85 Favored Glycine 0 C--O 1.258 1.612 0 N-CA-C 115.848 1.099 . . . . 25.0 115.848 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 166.36 34.68 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.193 -1.004 . . . . 25.0 110.669 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.69 132.56 12.06 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 107.003 -2.439 . . . . 25.0 107.003 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -127.04 154.11 45.09 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 117.015 0.407 . . . . 50.0 111.251 -169.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -138.71 101.54 4.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.21 131.86 53.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -170.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.4 116.38 24.67 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.87 -19.97 60.41 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 -174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.35 -158.73 38.62 Favored Glycine 0 N--CA 1.425 -2.063 0 CA-C-O 125.339 2.633 . . . . 25.0 113.487 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.98 149.22 32.65 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 109.397 -3.401 . . . . 25.0 111.697 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.66 -174.38 29.25 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.566 -1.652 . . . . 25.0 115.002 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -99.12 104.97 17.0 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -111.83 151.6 28.88 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -118.96 109.35 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.5 mt -120.92 102.71 8.53 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 144.49 26.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.218 -0.926 . . . . 25.0 110.366 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.92 -2.17 1.45 Allowed Glycine 0 N--CA 1.46 0.239 0 N-CA-C 117.022 1.569 . . . . 25.0 117.022 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 31.09 -127.07 0.18 Allowed Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 119.9 2.72 . . . . 25.0 119.9 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.81 142.92 44.11 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 109.892 -3.154 . . . . 25.0 111.447 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.6 159.41 32.82 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 174.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 66.78 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.31 154.84 41.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.064 -1.426 . . . . 50.0 109.619 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.1 m -113.74 99.92 8.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.704 0.764 . . . . 25.0 108.98 174.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -92.08 125.82 36.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -127.91 145.04 51.08 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.929 0.871 . . . . 25.0 111.8 -164.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -118.81 102.21 8.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.337 -1.302 . . . . 25.0 112.062 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.51 36.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.221 -2.511 . . . . 25.0 104.221 161.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 92.15 9.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.268 -1.333 . . . . 25.0 110.482 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -86.46 -71.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 -172.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -72.1 -17.4 61.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -74.32 -9.81 58.97 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.218 -1.356 . . . . 25.0 112.079 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -131.0 35.28 3.96 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.57 165.79 10.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.9 157.48 46.32 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.0 p -150.88 167.34 27.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.106 -2.553 . . . . 25.0 104.106 170.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.31 -24.96 64.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.75 -5.88 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 25.0 111.96 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.25 4.29 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 115.082 -0.963 . . . . 25.0 113.546 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -118.93 142.19 47.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -125.21 92.18 3.58 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 p -119.78 178.16 4.69 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.79 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.3 110.58 15.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.126 -1.064 . . . . 50.0 108.126 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.49 104.6 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.76 125.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.41 165.8 11.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 22.92 79.71 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.608 2.077 . . . . 25.0 116.608 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.75 41.02 1.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.824 -1.535 . . . . 25.0 114.951 -169.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -140.0 71.36 35.0 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 117.946 2.573 . . . . 25.0 117.946 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.24 22.94 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 N-CA-C 110.204 -0.729 . . . . 25.0 110.204 164.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.54 4.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.83 1.652 . . . . 25.0 114.886 -171.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -139.57 32.42 2.06 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.357 0.663 . . . . 25.0 111.131 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.94 156.68 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.803 -1.554 . . . . 50.0 106.803 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -111.1 127.02 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.277 1.037 . . . . 25.0 113.423 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 tp -115.27 126.94 55.11 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.925 -1.879 . . . . 25.0 105.925 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.31 117.43 29.5 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.717 -0.22 . . . . 25.0 110.464 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.3 m -124.38 14.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -66.76 -28.6 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.21 -13.83 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.5 -13.88 39.17 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 174.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.79 -50.09 4.13 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 108.549 -1.821 . . . . 25.0 108.549 -169.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 66.36 171.35 0.24 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.948 1.299 . . . . 25.0 109.188 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 p -120.17 -31.73 4.33 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.77 179.19 16.24 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 108.627 -1.789 . . . . 25.0 108.627 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.89 36.94 4.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.016 0.908 . . . . 25.0 111.193 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.23 3.75 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.216 -0.902 . . . . 25.0 115.215 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 58.99 26.74 15.42 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.46 9.01 84.13 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 117.755 1.862 . . . . 25.0 117.755 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -124.13 168.32 13.06 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.862 0.831 . . . . 25.0 109.74 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.34 27.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.867 0.867 . . . . 25.0 109.611 -174.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.62 -11.87 24.18 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 115.212 0.845 . . . . 25.0 115.212 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 p -75.44 171.75 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.699 0.75 . . . . 25.0 110.362 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.09 170.55 7.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.66 152.91 44.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.76 144.62 20.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -145.7 150.39 36.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.41 132.88 64.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.29 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.82 -25.91 44.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.968 0.413 . . . . 25.0 111.183 -174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.8 -26.25 65.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.562 0.696 . . . . 25.0 109.539 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.0 -9.46 51.99 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.326 -1.11 . . . . 25.0 110.326 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.33 32.02 10.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.168 0.987 . . . . 25.0 111.457 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -131.16 152.68 50.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.9 t -123.66 106.16 10.31 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -91.46 145.5 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 111.278 -2.692 . . . . 25.0 109.457 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.22 126.85 40.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -157.64 167.42 30.16 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 t -115.8 153.95 30.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 102.884 -3.006 . . . . 25.0 102.884 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.3 3.24 2.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.01 -33.12 74.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.65 0.738 . . . . 25.0 110.173 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.4 p -135.51 140.58 44.88 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 104.704 -2.332 . . . . 25.0 104.704 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.57 -74.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.978 -1.01 . . . . 25.0 113.37 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.72 -37.8 12.79 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 122.092 0.948 . . . . 25.0 108.646 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.638 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.01 -30.93 71.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.178 -1.373 . . . . 25.0 110.377 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.48 64.51 0.55 Allowed Glycine 0 CA--C 1.501 -0.821 0 N-CA-C 106.097 -2.801 . . . . 25.0 106.097 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 121.81 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.589 1.185 . . . . 25.0 108.649 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 33.6 p -119.0 165.81 13.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 112.544 -2.116 . . . . 25.0 110.154 -160.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.27 150.87 46.93 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -140.55 127.98 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 171.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.4 164.62 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 106.476 -1.675 . . . . 25.0 106.476 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.39 148.79 33.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tt -134.07 131.12 38.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -79.26 113.57 17.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.31 179.99 21.17 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 106.673 -2.571 . . . . 25.0 106.673 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -121.08 32.05 6.12 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 14.43 0.08 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.427 1.269 . . . . 25.0 114.427 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.88 -29.19 62.98 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 170.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.88 -8.97 58.18 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.195 174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.34 39.38 3.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.154 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.3 mt -74.1 119.53 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -160.61 164.88 31.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.38 -30.44 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 25.0 110.617 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.85 -31.6 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.104 -0.373 . . . . 25.0 110.255 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.85 -40.52 39.98 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.2 mt -129.34 126.04 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.9 tp -99.37 131.98 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -141.95 168.79 18.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.65 31.7 3.07 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.298 0.571 . . . . 25.0 111.118 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.25 150.78 37.44 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.83 -1.58 10.63 Favored 'Trans proline' 0 C--N 1.354 0.818 0 N-CA-C 115.056 1.137 . . . . 25.0 115.056 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.85 133.76 24.86 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.51 -176.59 2.59 Favored 'Trans proline' 0 C--O 1.244 0.819 0 N-CA-C 115.552 1.328 . . . . 25.0 115.552 -172.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.253 1.237 0 CA-C-O 116.682 -1.627 . . . . 25.0 107.073 177.09 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 110.536 -0.172 . . . . 25.0 110.536 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.72 -15.41 40.89 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.171 -2.086 . . . . 25.0 113.731 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -41.34 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.64 0.257 . . . . 25.0 110.437 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.8 141.46 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -106.34 17.07 23.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.69 24.84 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.074 -0.966 . . . . 25.0 110.557 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -63.87 123.31 81.33 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.49 140.02 89.25 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 115.056 -2.83 . . . . 25.0 113.301 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.22 125.54 39.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.18 112.31 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-O 123.081 1.42 . . . . 25.0 108.583 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.79 -136.96 2.7 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 112.943 -1.935 . . . . 25.0 110.169 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -129.9 170.65 13.66 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.244 -0.562 . . . . 25.0 110.528 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -87.26 2.55 49.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.543 0.687 . . . . 25.0 109.404 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.01 174.36 11.67 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.47 110.52 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.32 124.29 38.25 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -114.62 95.07 5.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.111 -2.181 . . . . 25.0 105.111 166.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -136.8 153.95 50.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 -173.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -127.86 148.24 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.237 1.017 . . . . 25.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 -41.37 2.16 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.176 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.1 p 45.2 -144.67 0.17 Allowed 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.166 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.18 -10.47 4.52 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 117.23 2.307 . . . . 25.0 117.23 -170.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 140.25 58.14 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.69 44.96 3.42 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 108.9 -1.68 . . . . 25.0 108.9 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -150.08 151.06 32.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.896 -2.261 . . . . 25.0 104.896 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.294 3.2 tp10 -141.14 157.32 45.44 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.871 1.804 . . . . 75.0 115.871 -171.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -99.65 139.9 20.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-N 114.914 -1.039 . . . . 25.0 111.504 -165.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -115.3 148.49 39.15 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.76 72.77 0.08 OUTLIER Glycine 0 N--CA 1.465 0.579 0 C-N-CA 120.061 -1.066 . . . . 25.0 113.097 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.47 -76.92 0.02 OUTLIER Glycine 0 C--O 1.237 0.3 0 N-CA-C 119.309 2.484 . . . . 25.0 119.309 -168.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.4 11.02 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-O 122.826 1.236 . . . . 25.0 114.062 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 164.63 4.77 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 81.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -78.68 151.87 31.95 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -170.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.6 104.47 7.68 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.54 121.34 33.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.242 -2.133 . . . . 25.0 105.242 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -109.48 136.08 49.46 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.79 -1.929 . . . . 25.0 105.79 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 -7.34 2.43 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.606 1.002 . . . . 25.0 115.606 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 18.36 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 119.015 2.968 . . . . 25.0 119.015 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.75 167.66 54.79 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.141 -1.028 . . . . 25.0 115.314 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.63 167.35 34.43 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 117.695 0.748 . . . . 25.0 112.174 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.42 130.52 9.82 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -124.33 152.69 42.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.673 0.736 . . . . 50.0 110.55 -168.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.436 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.0 mt -138.4 97.91 3.48 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 -177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.51 133.04 54.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -170.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 115.45 18.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 172.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.85 -17.79 69.35 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 117.036 1.574 . . . . 25.0 117.036 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.18 43.95 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.164 2.535 . . . . 25.0 112.773 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 149.34 35.77 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 109.731 -3.234 . . . . 25.0 111.787 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.82 -174.37 29.04 Favored Glycine 0 C--N 1.312 -0.759 0 CA-C-N 113.618 -1.628 . . . . 25.0 115.344 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -97.71 103.98 15.96 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -111.36 150.43 29.75 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -170.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -117.76 109.32 16.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.5 mt -120.68 102.16 8.21 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.35 142.94 27.88 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.238 -0.914 . . . . 25.0 110.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.78 -9.95 1.45 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 116.674 1.43 . . . . 25.0 116.674 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.36 -128.03 2.25 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-O 125.466 2.703 . . . . 25.0 119.017 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -56.55 143.1 36.81 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.383 -3.408 . . . . 25.0 111.978 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.75 160.93 37.0 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 115.639 1.016 . . . . 25.0 115.639 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.12 66.24 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.448 1.099 . . . . 25.0 108.334 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -67.13 154.29 41.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.015 -1.448 . . . . 50.0 109.611 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.1 m -112.58 98.67 7.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -92.73 123.07 35.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 102.55 -3.13 . . . . 25.0 102.55 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -126.37 144.96 50.64 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-O 121.983 0.896 . . . . 25.0 111.895 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.91 103.59 9.18 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.233 -1.349 . . . . 25.0 111.764 -172.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.3 1.23 35.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.302 -2.481 . . . . 25.0 104.302 161.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 90.86 8.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.167 -1.378 . . . . 25.0 110.753 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -87.0 -71.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -173.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -71.32 -17.96 62.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.484 1.135 . . . . 25.0 107.95 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -74.35 -8.79 57.46 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.531 -1.213 . . . . 25.0 111.819 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 36.86 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.167 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -102.69 165.1 11.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 152.97 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.183 0.809 . . . . 25.0 113.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.3 p -150.55 171.36 17.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 171.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.85 -24.21 66.11 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.68 54.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 25.0 111.978 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.11 152.88 5.75 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 114.211 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -118.98 139.4 51.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.089 0.471 . . . . 25.0 110.039 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.69 92.57 3.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 103.782 -2.673 . . . . 25.0 103.782 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 p -121.07 173.43 7.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 25.0 110.786 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.71 110.63 19.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.04 104.51 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -84.64 126.02 40.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.78 165.61 11.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 22.9 79.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -144.74 39.71 1.26 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.831 -1.531 . . . . 25.0 114.846 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -139.76 71.76 36.14 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 117.806 2.521 . . . . 25.0 117.806 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.95 22.25 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 N-CA-C 110.087 -0.774 . . . . 25.0 110.087 163.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 59.36 6.97 0.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.768 1.627 . . . . 25.0 114.346 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.6 54.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 155.99 21.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 173.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.14 127.46 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.269 1.033 . . . . 25.0 113.371 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 tp -116.71 130.32 56.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 174.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -119.84 118.42 30.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.182 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.28 14.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.7 p -66.1 -30.19 70.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.013 -0.43 . . . . 25.0 111.901 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.45 60.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.5 mt -88.21 -13.97 39.73 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 174.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.53 -50.82 4.4 Favored Glycine 0 CA--C 1.517 0.164 0 N-CA-C 108.254 -1.939 . . . . 25.0 108.254 -168.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.6 t80 65.65 171.81 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.989 1.316 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.3 -31.91 3.99 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.03 178.24 15.6 Favored Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.4 38.17 4.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.191 0.995 . . . . 25.0 111.163 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.7 57.11 4.22 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.196 -0.911 . . . . 25.0 115.007 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 58.19 26.19 13.49 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.559 1.688 . . . . 25.0 115.559 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.26 83.55 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 117.739 1.856 . . . . 25.0 117.739 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -121.36 167.66 12.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.085 0.943 . . . . 25.0 109.771 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 38.43 29.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.834 0.854 . . . . 25.0 109.996 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.09 -10.72 25.73 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.172 0.829 . . . . 25.0 115.172 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 p -75.93 172.67 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.794 0.797 . . . . 25.0 109.979 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.72 168.55 9.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.14 152.99 39.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.082 -1.822 . . . . 25.0 106.082 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.51 144.0 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 106.353 -1.721 . . . . 25.0 106.353 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -144.39 148.57 34.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.73 131.79 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.04 39.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.08 -28.68 54.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.483 . . . . 25.0 111.137 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.17 -26.76 65.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.439 0.638 . . . . 25.0 109.853 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.26 -9.51 53.38 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.661 -0.976 . . . . 25.0 110.661 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.25 32.47 10.85 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.221 1.008 . . . . 25.0 111.517 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -132.39 155.91 47.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.672 -0.694 . . . . 25.0 112.684 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.9 t -127.73 108.8 11.05 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 103.696 -2.705 . . . . 25.0 103.696 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -94.4 145.85 24.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 111.704 -2.498 . . . . 25.0 109.498 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -129.85 125.5 35.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.599 -1.259 . . . . 25.0 107.599 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -157.07 167.89 29.1 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 t -118.3 151.45 37.66 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.8 1.97 2.84 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.339 0.866 . . . . 25.0 113.339 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.48 -33.38 74.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.549 0.69 . . . . 25.0 110.467 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.1 p -134.9 140.33 45.69 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -127.28 -73.67 0.6 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.244 -1.344 . . . . 25.0 110.751 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.75 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 18.3 mp0 -76.36 -25.21 54.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.265 -1.334 . . . . 25.0 110.627 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.83 75.05 0.16 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 109.787 -1.325 . . . . 25.0 109.787 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 128.35 35.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.6 p -122.55 165.73 15.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.258 -164.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 154.06 42.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.103 0.478 . . . . 25.0 111.658 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -141.07 130.85 24.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.62 164.15 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.38 131.22 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -79.13 114.01 17.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.18 179.97 21.05 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 106.892 -2.483 . . . . 25.0 106.892 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.3 m120 -120.67 32.0 6.18 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.717 -0.845 . . . . 25.0 108.717 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 15.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -72.34 -29.64 64.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.206 -1.775 . . . . 25.0 106.206 170.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.21 57.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.387 -0.824 . . . . 25.0 109.254 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.43 41.13 3.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.236 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.56 122.13 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.7 p -161.54 165.06 29.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.32 69.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 25.0 110.765 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.83 -32.12 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.069 -0.394 . . . . 25.0 110.169 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.78 -41.28 45.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.488 . . . . 25.0 112.316 174.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 23.7 mt -129.46 125.2 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -97.36 133.19 42.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -140.18 168.86 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.97 31.38 3.28 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.388 0.614 . . . . 25.0 111.176 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.1 150.57 38.46 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.76 0.55 8.08 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 115.103 1.155 . . . . 25.0 115.103 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 4.0 p -123.92 133.81 24.91 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 105.286 -2.116 . . . . 25.0 105.286 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.35 -177.63 3.14 Favored 'Trans proline' 0 C--O 1.244 0.824 0 N-CA-C 115.861 1.447 . . . . 25.0 115.861 -172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.252 1.19 0 CA-C-O 116.499 -1.715 . . . . 25.0 106.955 177.87 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 110.572 -0.158 . . . . 25.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.9 -15.31 40.17 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 116.08 -2.147 . . . . 25.0 113.768 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -41.7 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 25.0 110.343 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.1 142.32 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.68 18.63 21.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.06 45.33 23.81 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.061 -0.972 . . . . 25.0 110.425 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -68.07 116.59 40.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -62.59 146.08 95.35 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 115.137 -2.775 . . . . 25.0 114.089 -176.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.03 132.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 106.536 -1.654 . . . . 25.0 106.536 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -89.58 114.92 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-O 122.996 1.379 . . . . 25.0 107.878 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.47 -137.19 2.63 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 113.003 -1.908 . . . . 25.0 110.236 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -129.02 169.95 14.07 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.357 -0.496 . . . . 25.0 110.146 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.78 2.99 46.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.516 0.674 . . . . 25.0 109.425 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.69 174.95 11.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.86 111.07 4.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.83 127.13 39.41 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.97 95.37 4.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 104.675 -2.342 . . . . 25.0 104.675 166.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -136.4 153.77 51.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -126.24 148.11 49.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.976 0.893 . . . . 25.0 112.131 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.16 -37.18 2.01 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 113.954 -1.476 . . . . 25.0 111.411 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p 48.05 -148.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.254 -0.973 . . . . 25.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.04 -9.14 19.67 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.224 1.935 . . . . 25.0 116.224 -170.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 139.56 57.11 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 174.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.54 48.23 4.0 Favored Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.172 -1.171 . . . . 25.0 110.172 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -151.14 150.3 30.49 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.1 tp10 -140.71 -179.32 5.98 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.203 0.816 . . . . 75.0 113.203 -176.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.505 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -112.52 140.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.716 0.77 . . . . 25.0 113.035 -167.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -111.9 149.34 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 105.092 -2.188 . . . . 25.0 105.092 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.94 69.12 0.06 OUTLIER Glycine 0 N--CA 1.464 0.523 0 C-N-CA 120.058 -1.068 . . . . 25.0 112.98 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.81 0.03 OUTLIER Glycine 0 C--O 1.239 0.447 0 N-CA-C 119.788 2.675 . . . . 25.0 119.788 -168.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.78 -176.64 10.08 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-O 122.78 1.211 . . . . 25.0 114.358 -174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 165.58 5.27 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 116.844 1.498 . . . . 25.0 116.844 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.12 81.57 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.71 150.88 32.42 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 -170.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.07 104.01 7.54 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 104.423 -2.436 . . . . 25.0 104.423 172.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.1 mt -123.72 117.44 24.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 104.81 -2.293 . . . . 25.0 104.81 -170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -103.16 136.08 43.62 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 104.705 -2.332 . . . . 25.0 104.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.29 -4.6 2.23 Favored Glycine 0 C--O 1.214 -1.111 0 C-N-CA 120.415 -0.898 . . . . 25.0 113.73 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 19.51 -104.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 116.559 2.059 . . . . 25.0 116.559 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.62 171.94 54.08 Favored Glycine 0 C--O 1.244 0.733 0 N-CA-C 116.946 1.539 . . . . 25.0 116.946 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.14 164.33 37.21 Favored Glycine 0 C--O 1.247 0.911 0 CA-C-N 114.113 -1.043 . . . . 25.0 113.859 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.0 131.37 10.61 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 105.094 -3.202 . . . . 25.0 105.094 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.68 158.09 45.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.092 0.946 . . . . 50.0 111.335 -165.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -135.96 97.92 3.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.05 132.31 54.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -171.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.29 116.37 19.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 -17.83 71.69 Favored Glycine 0 C--O 1.228 -0.261 0 N-CA-C 116.136 1.214 . . . . 25.0 116.136 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' H ' HD21 ' A' ' 67' ' ' LEU . . . 64.24 -156.63 44.79 Favored Glycine 0 N--CA 1.425 -2.081 0 CA-C-O 125.43 2.683 . . . . 25.0 113.329 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 148.12 37.62 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.333 -3.433 . . . . 25.0 111.857 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.41 29.93 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.585 -1.643 . . . . 25.0 115.112 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -98.54 104.86 16.94 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 104.97 -2.233 . . . . 25.0 104.97 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -111.86 154.12 25.62 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -121.62 110.2 15.7 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.6 mt -121.51 108.11 13.24 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -171.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 146.92 26.01 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.223 0.92 . . . . 25.0 111.903 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.01 17.05 0.81 Allowed Glycine 0 C--O 1.245 0.785 0 N-CA-C 117.602 1.801 . . . . 25.0 117.602 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 4.9 -116.92 0.01 OUTLIER Glycine 0 N--CA 1.465 0.586 0 N-CA-C 122.152 3.621 . . . . 25.0 122.152 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.31 145.99 54.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.593 -1.303 . . . . 25.0 109.854 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.77 162.63 26.93 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.758 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.91 73.7 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 153.64 42.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.323 -1.762 . . . . 50.0 108.136 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.3 m -118.16 95.96 5.12 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 169.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -88.92 124.12 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 103.271 -2.863 . . . . 25.0 103.271 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -121.08 140.31 52.14 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.177 -165.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -118.99 101.07 7.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.825 -1.08 . . . . 25.0 110.778 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 1.71 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.231 -2.507 . . . . 25.0 104.231 162.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 HD21 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.6 91.05 8.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.29 -176.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -85.48 -71.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -72.1 -16.68 62.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -75.99 -8.75 57.67 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-N 114.233 -1.349 . . . . 25.0 112.279 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.22 33.8 4.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.617 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -102.15 166.23 10.72 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.462 0.912 . . . . 25.0 113.462 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.24 156.83 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.67 167.6 26.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.772 -2.307 . . . . 25.0 104.772 171.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.25 65.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.26 -6.2 50.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.792 0.806 . . . . 25.0 111.976 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.77 148.94 4.85 Favored Glycine 0 C--N 1.316 -0.542 0 CA-C-N 115.001 -0.999 . . . . 25.0 113.375 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -118.95 143.04 47.25 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -125.56 92.41 3.6 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 p -121.79 177.76 5.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.29 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.91 110.76 15.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.22 104.49 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.63 125.86 40.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -101.52 165.51 11.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 22.66 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.588 2.07 . . . . 25.0 116.588 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -144.09 37.29 1.27 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.821 -1.536 . . . . 25.0 114.841 -169.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -137.34 68.94 54.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 117.485 2.402 . . . . 25.0 117.485 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.39 20.9 1.12 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 N-CA-C 110.0 -0.808 . . . . 25.0 110.0 163.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.09 4.52 0.44 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.872 1.669 . . . . 25.0 114.699 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -142.11 51.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.842 0.857 . . . . 25.0 109.116 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.13 154.09 22.22 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 104.466 -2.42 . . . . 50.0 104.466 172.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -111.08 131.6 54.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.085 0.945 . . . . 25.0 112.767 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -119.09 130.93 55.85 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -119.64 117.36 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -123.43 13.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.0 p -66.72 -29.14 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.999 -0.438 . . . . 25.0 111.85 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.08 -13.97 62.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.13 -14.35 38.95 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.93 -50.88 4.23 Favored Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 108.196 -1.962 . . . . 25.0 108.196 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.6 t80 65.48 171.45 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.931 1.292 . . . . 25.0 109.701 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 p -119.94 -31.33 4.5 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.37 -179.88 16.7 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 109.153 -1.579 . . . . 25.0 109.153 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -123.01 41.14 3.54 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.181 0.991 . . . . 25.0 111.489 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.91 55.44 4.52 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-N 115.415 -0.811 . . . . 25.0 114.578 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.52 28.31 16.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.57 7.35 84.61 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 117.873 1.909 . . . . 25.0 117.873 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -124.7 168.67 12.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.767 0.783 . . . . 25.0 109.693 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.04 37.98 26.62 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.886 0.874 . . . . 25.0 109.527 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.11 -12.84 16.89 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 115.269 0.868 . . . . 25.0 115.269 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -74.84 172.3 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.036 -0.685 . . . . 25.0 110.489 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.35 169.41 8.5 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.77 152.84 43.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.49 143.95 21.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.25 129.88 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -120.88 124.31 44.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -75.15 -24.84 58.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.93 -26.71 66.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.557 0.694 . . . . 25.0 109.698 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.51 -9.85 49.2 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.48 -1.048 . . . . 25.0 110.48 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.3 32.13 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.084 0.953 . . . . 25.0 111.239 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -131.61 153.69 49.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.762 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.9 t -123.92 106.02 10.09 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.139 -2.541 . . . . 25.0 104.139 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.26 145.27 24.8 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 111.47 -2.605 . . . . 25.0 109.156 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.97 126.5 37.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -157.66 166.79 31.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 t -115.36 153.15 31.52 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 103.007 -2.96 . . . . 25.0 103.007 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.88 1.05 2.73 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.1 -34.18 77.06 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.522 0.677 . . . . 25.0 110.6 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.2 p -134.46 138.65 44.92 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -177.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.94 -71.58 0.73 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.177 -1.374 . . . . 25.0 112.748 -176.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.03 -34.36 14.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 3.3 mp0 -68.48 -28.84 67.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.078 -1.419 . . . . 25.0 110.45 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.39 70.88 0.3 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.361 -2.296 . . . . 25.0 107.361 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 122.69 17.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.414 1.102 . . . . 25.0 108.462 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.5 p -120.0 166.06 13.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 112.876 -1.965 . . . . 25.0 110.413 -160.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -68.59 151.25 47.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -142.28 128.57 19.92 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 170.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.36 164.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.643 -1.614 . . . . 25.0 106.643 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -145.17 147.19 32.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.0 130.57 39.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.29 113.63 17.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.32 179.49 21.65 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.4 m120 -120.96 33.41 5.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 -177.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 17.13 0.06 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -71.7 -30.09 65.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 170.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.1 57.24 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.332 -0.849 . . . . 25.0 109.477 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.97 41.72 3.42 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.224 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.53 122.32 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.0 p -161.34 165.08 29.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.052 0.453 . . . . 25.0 110.836 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -72.79 -31.31 64.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.006 -0.434 . . . . 25.0 110.191 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.73 -41.62 44.37 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.085 0.402 . . . . 25.0 111.998 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.2 mt -129.48 124.64 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -176.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.4 tp -95.91 133.0 40.62 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -139.18 168.79 19.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.72 31.56 3.35 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.386 0.612 . . . . 25.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.71 150.91 39.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.7 -2.76 12.36 Favored 'Trans proline' 0 C--N 1.352 0.756 0 N-CA-C 115.117 1.16 . . . . 25.0 115.117 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -120.26 131.85 24.3 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 105.708 -1.96 . . . . 25.0 105.708 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -73.49 -177.32 2.98 Favored 'Trans proline' 0 C--O 1.244 0.787 0 N-CA-C 115.856 1.445 . . . . 25.0 115.856 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.252 1.193 0 CA-C-O 116.475 -1.726 . . . . 25.0 107.238 178.182 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.582 -0.155 . . . . 25.0 110.582 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.1 -15.75 43.56 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 116.234 -2.044 . . . . 25.0 113.734 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -41.87 59.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.534 0.206 . . . . 25.0 110.614 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.94 143.93 9.69 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.39 18.43 18.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.62 42.94 23.21 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.227 -0.897 . . . . 25.0 110.206 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -63.67 123.04 80.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.54 142.87 96.35 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 115.228 -2.714 . . . . 25.0 114.14 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.31 126.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -87.95 112.27 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-O 122.839 1.304 . . . . 25.0 108.196 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.26 2.1 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.387 -1.733 . . . . 25.0 109.572 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -136.04 175.13 9.88 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.987 -0.713 . . . . 25.0 110.215 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -87.23 3.66 45.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 172.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 tp -79.25 170.75 16.16 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 114.819 -1.082 . . . . 25.0 108.162 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 100.32 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.268 1.027 . . . . 25.0 108.461 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.35 121.53 31.7 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 109.425 -0.583 . . . . 50.0 109.425 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.76 95.27 5.39 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 165.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -134.51 153.62 51.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.472 -1.306 . . . . 25.0 107.472 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -128.07 149.15 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.859 0.838 . . . . 25.0 112.072 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -107.11 -40.97 1.73 Allowed Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.344 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 p 46.05 -142.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.965 -1.118 . . . . 25.0 111.323 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.91 -12.8 12.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.672 2.101 . . . . 25.0 116.672 -170.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 138.79 58.36 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 43.25 3.23 Favored Glycine 0 C--O 1.217 -0.931 0 N-CA-C 110.311 -1.116 . . . . 25.0 110.311 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.79 143.49 28.68 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -141.1 153.72 45.56 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 115.511 1.671 . . . . 75.0 115.511 -172.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -86.11 141.0 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 113.374 -1.739 . . . . 25.0 112.497 -164.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -116.95 150.97 37.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.215 1.806 . . . . 25.0 106.195 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 78.5 0.05 OUTLIER Glycine 0 N--CA 1.465 0.58 0 C-N-CA 119.799 -1.191 . . . . 25.0 114.388 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -35.73 -76.08 0.06 OUTLIER Glycine 0 N--CA 1.459 0.174 0 N-CA-C 120.634 3.014 . . . . 25.0 120.634 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -174.77 9.49 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 115.564 0.985 . . . . 25.0 115.564 -172.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.38 167.8 6.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 116.105 1.202 . . . . 25.0 116.105 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 81.26 5.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.79 148.9 38.1 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.074 -0.966 . . . . 50.0 113.164 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -129.57 104.09 7.25 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.78 117.88 24.36 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 -170.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.2 136.42 47.89 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.37 -8.66 2.23 Favored Glycine 0 C--O 1.206 -1.618 0 N-CA-C 115.429 0.932 . . . . 25.0 115.429 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 19.87 -99.3 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 119.104 3.002 . . . . 25.0 119.104 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.9 54.64 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 115.996 1.158 . . . . 25.0 115.996 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.4 167.9 32.3 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.522 -0.631 . . . . 25.0 111.522 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.16 133.45 14.12 Favored Glycine 0 C--N 1.315 -0.59 0 N-CA-C 107.615 -2.194 . . . . 25.0 107.615 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -128.17 153.85 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.47 0.635 . . . . 50.0 110.614 -169.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.6 mt -138.76 98.01 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.39 140.2 53.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -167.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -141.53 159.87 41.33 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.66 33.19 1.08 Allowed Glycine 0 C--O 1.219 -0.806 0 C-N-CA 120.081 -1.057 . . . . 25.0 113.759 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.66 -129.71 0.01 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.816 3.086 . . . . 25.0 120.816 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 147.93 52.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.068 -2.066 . . . . 25.0 112.092 -174.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.4 -173.01 23.62 Favored Glycine 0 C--N 1.313 -0.695 0 CA-C-N 113.68 -1.6 . . . . 25.0 115.231 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -102.35 109.45 21.11 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 103.765 -2.679 . . . . 25.0 103.765 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -117.8 157.64 26.22 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.844 1.424 . . . . 50.0 114.844 -168.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -124.93 107.58 11.01 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -120.77 109.8 15.6 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.662 -0.209 . . . . 25.0 110.806 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.1 31.19 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 121.332 -0.855 . . . . 25.0 111.125 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.63 -6.98 1.26 Allowed Glycine 0 N--CA 1.462 0.412 0 N-CA-C 117.044 1.577 . . . . 25.0 117.044 -174.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.28 -125.24 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 125.162 2.534 . . . . 25.0 119.058 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.5 144.84 35.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.832 -3.184 . . . . 25.0 111.695 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.7 162.09 37.94 Favored Glycine 0 C--O 1.244 0.722 0 N-CA-C 115.862 1.105 . . . . 25.0 115.862 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 69.01 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.25 -1.389 . . . . 25.0 107.25 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -68.13 158.92 32.03 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.25 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 m -118.37 96.41 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.774 0.797 . . . . 25.0 108.905 174.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -83.99 138.97 32.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -124.88 136.44 53.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.539 0.685 . . . . 25.0 111.962 -168.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -122.02 98.6 6.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.938 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.7 3.51 39.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 164.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 92.87 8.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.336 -1.302 . . . . 25.0 110.858 -175.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -86.45 -73.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.559 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -69.94 -19.15 63.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.715 1.245 . . . . 25.0 108.065 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -75.41 -10.3 59.33 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 114.232 -1.349 . . . . 25.0 112.233 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.43 37.7 3.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.643 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -102.76 163.81 12.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.469 0.652 . . . . 25.0 112.638 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.57 152.75 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -150.81 159.1 44.76 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 99.45 -4.278 . . . . 25.0 99.45 168.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.43 74.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.875 0.761 . . . . 25.0 109.768 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.57 2.39 48.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.03 84.73 0.07 OUTLIER Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.882 -0.675 . . . . 25.0 114.019 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -102.8 121.86 43.34 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.564 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -126.01 92.31 3.56 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 p -121.81 173.55 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.015 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.96 112.37 19.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.66 105.43 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.44 125.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.05 165.62 11.06 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 21.92 79.28 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.937 2.199 . . . . 25.0 116.937 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.17 39.55 1.45 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.408 -171.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -136.56 69.41 60.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 117.475 2.398 . . . . 25.0 117.475 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.69 20.28 1.21 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 N-CA-C 110.072 -0.78 . . . . 25.0 110.072 163.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.3 p 58.42 5.41 0.44 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.832 1.653 . . . . 25.0 114.742 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.95 26.66 3.29 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.239 0.616 . . . . 25.0 111.241 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.38 154.47 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -111.83 132.41 54.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.866 0.841 . . . . 25.0 112.214 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.85 120.34 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -100.46 118.16 36.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.449 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.57 12.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -69.57 -23.73 63.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.892 -0.505 . . . . 25.0 110.987 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.54 -18.2 63.64 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.6 0.238 . . . . 25.0 111.196 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.82 -14.02 35.33 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.37 -48.8 4.12 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.922 -1.671 . . . . 25.0 108.922 -167.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 t80 68.85 167.57 0.28 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.553 1.541 . . . . 25.0 109.539 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -113.85 -33.51 5.75 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.01 178.97 15.89 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.042 -1.623 . . . . 25.0 109.042 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 tp -122.23 42.81 3.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.073 0.94 . . . . 25.0 111.098 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.45 56.39 4.43 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.299 -0.864 . . . . 25.0 114.189 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 57.5 27.69 14.41 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.73 8.6 84.27 Favored Glycine 0 C--O 1.229 -0.16 0 N-CA-C 117.704 1.842 . . . . 25.0 117.704 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -121.42 167.58 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.1 0.95 . . . . 25.0 110.002 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.1 38.29 29.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.837 0.855 . . . . 25.0 110.097 -175.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.01 -9.25 32.89 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 115.124 0.81 . . . . 25.0 115.124 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 p -76.85 170.9 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.785 0.793 . . . . 25.0 109.824 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.75 170.4 7.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.84 152.81 47.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.62 144.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 t -145.06 147.32 32.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.99 129.58 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -120.46 127.47 52.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -74.01 -26.7 60.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -67.67 -26.32 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.621 0.724 . . . . 25.0 109.996 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.57 -12.25 45.0 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.825 -0.91 . . . . 25.0 110.825 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 52.22 32.75 11.23 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.207 1.003 . . . . 25.0 110.746 -176.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -132.09 154.37 49.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.187 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -125.76 106.27 9.57 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -90.71 144.49 25.69 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 111.622 -2.536 . . . . 25.0 109.148 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.49 125.82 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.81 167.55 29.7 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -115.31 151.27 34.88 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.648 -3.093 . . . . 25.0 102.648 173.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.71 4.98 3.37 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.626 -0.715 . . . . 25.0 112.822 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.21 -34.02 77.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.527 0.68 . . . . 25.0 110.784 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.9 p -138.51 140.62 39.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -114.45 -74.08 0.63 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.81 -1.086 . . . . 25.0 113.358 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.2 13.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.213 1.006 . . . . 25.0 108.967 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.636 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.7 mp0 -68.22 -30.61 69.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.967 -1.47 . . . . 25.0 110.807 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.07 67.97 0.44 Allowed Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 105.521 -3.032 . . . . 25.0 105.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 115.41 5.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.215 1.483 . . . . 25.0 109.722 -173.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.1 p -104.97 -179.54 3.97 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 111.629 -2.532 . . . . 25.0 109.622 -163.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -91.35 153.91 19.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -175.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -145.49 130.77 18.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.588 . . . . 25.0 109.814 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -141.97 166.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.8 149.72 35.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.05 131.14 40.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.08 113.3 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.97 23.5 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 106.754 -2.539 . . . . 25.0 106.754 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 145' ' ' ALA . 3.2 m120 -120.36 31.54 6.42 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 16.09 0.08 Allowed 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -174.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 143' ' ' ASN . . . -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 106.385 -1.709 . . . . 25.0 106.385 171.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.03 -6.28 55.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.608 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -127.49 42.23 3.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.371 0.605 . . . . 25.0 110.014 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.96 124.84 37.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 86.4 p -165.72 173.03 11.15 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.51 -20.81 66.5 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.044 0.45 . . . . 25.0 110.926 176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.57 -36.18 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.8 -39.55 14.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.476 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 20.7 mm -114.49 128.75 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -173.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.8 tp -99.9 126.55 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.717 -1.586 . . . . 25.0 106.717 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.14 168.09 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.84 32.21 3.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.256 0.551 . . . . 25.0 111.427 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.55 148.28 35.76 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.15 -7.18 20.18 Favored 'Trans proline' 0 C--N 1.353 0.775 0 N-CA-C 115.098 1.153 . . . . 25.0 115.098 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.78 130.36 23.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.86 -179.88 4.66 Favored 'Trans proline' 0 C--O 1.243 0.759 0 N-CA-C 115.155 1.175 . . . . 25.0 115.155 -173.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.254 1.31 0 CA-C-O 116.639 -1.648 . . . . 25.0 107.427 179.694 . . . . . . . . 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 ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo . . . . . 0 N--CA 1.462 -0.337 0 N-CA-C 113.583 0.57 . . . . 25.0 113.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mt -82.41 124.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.02 113.37 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 123.117 1.437 . . . . 25.0 107.674 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.14 2.26 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 112.984 -1.917 . . . . 25.0 110.606 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -132.2 174.31 10.35 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.215 -0.579 . . . . 25.0 110.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.65 4.64 46.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.743 0.782 . . . . 25.0 109.279 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.46 172.41 13.83 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 114.853 -1.067 . . . . 25.0 108.256 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.64 100.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.865 -1.531 . . . . 25.0 106.865 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -87.98 120.75 29.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -111.7 95.15 5.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 166.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -136.68 153.9 50.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -127.57 148.62 50.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.924 0.868 . . . . 25.0 112.11 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.27 -40.75 2.73 Favored Glycine 0 CA--C 1.506 -0.514 0 CA-C-N 113.765 -1.561 . . . . 25.0 110.631 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p 46.32 -144.92 0.23 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.121 -1.039 . . . . 25.0 110.53 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.58 -11.26 10.51 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.758 2.133 . . . . 25.0 116.758 -170.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 139.44 58.08 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.63 42.76 2.97 Favored Glycine 0 C--O 1.221 -0.664 0 N-CA-C 109.694 -1.363 . . . . 25.0 109.694 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.18 149.78 33.63 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.268 3.2 tp10 -140.76 156.45 46.17 Favored 'General case' 0 C--O 1.203 -1.357 0 N-CA-C 115.065 1.506 . . . . 75.0 115.065 -171.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.42 139.58 20.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 124.696 1.198 . . . . 25.0 108.822 -164.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -117.53 146.76 43.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 78.0 0.08 OUTLIER Glycine 0 N--CA 1.462 0.397 0 C-N-CA 119.631 -1.271 . . . . 25.0 114.489 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -31.35 -77.5 0.03 OUTLIER Glycine 0 C--O 1.236 0.24 0 N-CA-C 119.823 2.689 . . . . 25.0 119.823 -169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.54 -177.22 13.06 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-O 122.618 1.121 . . . . 25.0 114.036 -174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.54 165.01 5.46 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.525 1.37 . . . . 25.0 116.525 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.37 81.62 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.2 151.9 36.77 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.413 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -129.04 103.99 7.31 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -126.65 120.84 30.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.3 136.12 49.98 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 105.99 -1.855 . . . . 25.0 105.99 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.69 -8.04 4.03 Favored Glycine 0 C--O 1.212 -1.229 0 N-CA-C 115.356 0.902 . . . . 25.0 115.356 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 18.13 -97.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 119.253 3.057 . . . . 25.0 119.253 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 167.77 54.83 Favored Glycine 0 N--CA 1.465 0.629 0 O-C-N 120.822 -1.174 . . . . 25.0 115.586 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.72 165.56 22.34 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-O 121.797 0.665 . . . . 25.0 112.702 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.48 136.07 17.73 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 106.492 -2.643 . . . . 25.0 106.492 171.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -127.71 152.89 47.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.513 1.157 . . . . 50.0 109.06 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 95.9 mt -136.87 97.96 3.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -122.56 132.73 54.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -167.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 116.85 25.03 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.751 -1.113 . . . . 25.0 108.486 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.45 -22.43 54.01 Favored Glycine 0 N--CA 1.463 0.482 0 N-CA-C 116.782 1.473 . . . . 25.0 116.782 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.47 -159.35 38.1 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.42 2.678 . . . . 25.0 114.302 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.17 151.84 21.85 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 109.337 -3.431 . . . . 25.0 112.419 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.49 -174.68 35.21 Favored Glycine 0 C--N 1.312 -0.756 0 CA-C-N 113.428 -1.715 . . . . 25.0 113.107 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -104.88 107.79 18.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -110.12 156.67 20.28 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.999 -167.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -119.62 108.59 14.65 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.0 mt -120.68 108.7 14.33 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.037 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.47 140.41 37.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.283 -0.886 . . . . 25.0 109.549 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.35 -21.58 2.01 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 115.891 1.116 . . . . 25.0 115.891 -175.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.25 -130.39 41.15 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-O 126.116 3.065 . . . . 25.0 116.635 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -63.27 151.14 41.42 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 108.774 -3.713 . . . . 25.0 110.554 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 161.6 37.44 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 115.513 0.965 . . . . 25.0 115.513 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.58 68.68 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.935 -1.506 . . . . 25.0 106.935 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -68.61 154.19 42.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.645 -1.616 . . . . 50.0 109.229 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.0 m -114.97 101.66 9.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -97.73 124.09 41.93 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.534 -3.136 . . . . 25.0 102.534 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -127.94 149.94 50.11 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.701 0.762 . . . . 25.0 112.044 -165.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -121.57 103.13 8.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.567 -1.197 . . . . 25.0 112.795 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.46 2.15 36.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.272 -2.492 . . . . 25.0 104.272 160.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -90.58 91.11 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.119 -1.4 . . . . 25.0 110.816 -175.031 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -86.76 -72.04 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' HG3' HH21 ' A' ' 134' ' ' ARG . 14.7 mp0 -71.29 -17.09 62.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -73.8 -8.25 55.33 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 114.3 -1.318 . . . . 25.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -131.98 38.31 3.53 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.707 -0.679 . . . . 25.0 110.566 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 16.7 pt20 -102.6 163.63 12.11 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -135.98 156.71 48.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -178.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.7 p -150.96 167.72 26.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.268 -1.753 . . . . 25.0 106.268 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.78 -26.15 67.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.68 53.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 25.0 112.48 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.99 154.81 6.31 Favored Glycine 0 C--N 1.316 -0.575 0 CA-C-N 115.287 -0.869 . . . . 25.0 113.393 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 7.4 p -118.72 143.17 47.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.45 -0.441 . . . . 25.0 109.996 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -125.95 91.99 3.5 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 103.955 -2.609 . . . . 25.0 103.955 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 p -122.83 -179.59 4.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.353 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.23 109.66 15.66 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.32 104.27 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.27 125.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.67 165.99 10.93 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 22.32 80.16 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 117.183 2.29 . . . . 25.0 117.183 -175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.39 42.31 1.63 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 114.984 1.475 . . . . 25.0 114.984 -171.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -141.2 71.07 27.77 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 118.207 2.669 . . . . 25.0 118.207 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.62 21.26 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 N-CA-C 110.376 -0.663 . . . . 25.0 110.376 163.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.8 p 58.97 4.18 0.39 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.849 1.66 . . . . 25.0 114.974 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -136.59 29.81 2.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.335 0.654 . . . . 25.0 110.739 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.81 156.36 20.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.848 -1.538 . . . . 50.0 106.848 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -111.03 132.55 54.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.328 1.061 . . . . 25.0 112.064 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.35 122.89 27.15 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.758 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.75 15.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -65.22 -30.77 71.68 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.081 -0.387 . . . . 25.0 111.944 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.47 -14.01 61.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.13 -13.71 37.86 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.02 -51.11 4.25 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 109.339 -1.504 . . . . 25.0 109.339 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 21.4 t80 72.24 125.53 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.702 1.601 . . . . 25.0 110.149 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.0 p -78.55 -24.82 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.72 178.22 15.63 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 110.228 -1.149 . . . . 25.0 110.228 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.72 34.84 4.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.025 0.917 . . . . 25.0 110.162 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.58 57.34 4.48 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.363 -0.835 . . . . 25.0 114.487 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 56.67 26.9 11.81 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.163 1.542 . . . . 25.0 115.163 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 6.36 86.48 Favored Glycine 0 C--O 1.229 -0.179 0 N-CA-C 117.342 1.697 . . . . 25.0 117.342 171.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -117.46 167.53 11.2 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.184 0.992 . . . . 25.0 109.889 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.16 37.86 28.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.894 0.878 . . . . 25.0 110.287 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.17 -8.6 30.71 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 115.438 0.935 . . . . 25.0 115.438 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 p -77.06 172.8 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.583 0.691 . . . . 25.0 109.939 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.15 168.68 8.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.95 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.13 140.51 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -146.21 153.02 40.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.67 132.89 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.324 -1.361 . . . . 25.0 107.324 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.02 122.23 39.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.94 -27.05 49.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 25.0 111.278 -175.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.04 -26.57 65.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.388 0.613 . . . . 25.0 109.583 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.75 -10.01 51.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.758 -0.937 . . . . 25.0 110.758 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.71 32.12 11.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.107 0.963 . . . . 25.0 111.165 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.63 153.32 50.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.83 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -122.89 106.34 10.79 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.196 -2.52 . . . . 25.0 104.196 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.39 141.04 29.14 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 111.51 -2.586 . . . . 25.0 108.845 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.77 121.43 30.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -157.95 170.43 22.35 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.8 t -119.69 155.7 31.9 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 103.489 -2.782 . . . . 25.0 103.489 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.13 2.51 1.71 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.01 -33.92 76.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.512 0.672 . . . . 25.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.7 p -135.21 137.07 42.28 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -130.19 -73.09 0.56 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.994 -1.457 . . . . 25.0 109.799 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.82 -28.84 50.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.4 mp0 -78.78 -22.21 46.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.319 -1.309 . . . . 25.0 111.449 -175.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.2 84.47 0.07 OUTLIER Glycine 0 C--O 1.22 -0.769 0 N-CA-C 106.642 -2.583 . . . . 25.0 106.642 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.488 HH21 ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.23 127.93 33.6 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.848 1.308 . . . . 25.0 109.614 -172.105 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.34 165.96 12.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 112.438 -2.165 . . . . 25.0 110.251 -164.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 50.2 m-85 -90.87 154.51 19.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.856 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.81 130.5 16.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.005 0.522 . . . . 25.0 110.793 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.29 163.79 30.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.2 144.64 31.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tt -135.0 129.85 34.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -79.5 111.21 15.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.41 177.07 22.39 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 107.152 -2.379 . . . . 25.0 107.152 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.73 26.31 9.43 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 13.21 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.72 -28.43 61.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.08 60.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.38 36.8 3.78 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 118.07 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 99.2 p -160.16 164.22 33.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.71 68.54 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.223 0.535 . . . . 25.0 110.842 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.58 -33.09 68.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.953 -0.467 . . . . 25.0 110.21 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.68 -41.65 44.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.8 mt -129.1 121.3 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.878 -0.514 . . . . 25.0 112.147 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.9 tp -93.58 134.02 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -141.14 171.02 14.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.12 31.31 2.68 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.319 0.58 . . . . 25.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 120.933 0.305 . . . . 25.0 112.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.07 130.75 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 105.484 -2.043 . . . . 25.0 105.484 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.25 109.89 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 122.874 1.321 . . . . 25.0 108.324 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.08 -136.76 2.78 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 113.32 -1.764 . . . . 25.0 109.969 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.5 t -132.3 170.23 15.35 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.267 -0.549 . . . . 25.0 110.746 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.82 4.38 44.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.507 0.67 . . . . 25.0 109.331 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 tp -81.85 175.47 10.39 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.72 110.81 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 173.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -95.96 123.66 39.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -116.35 94.99 4.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 165.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.9 mt -136.45 154.03 50.89 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 -173.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -131.91 148.91 52.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.804 0.811 . . . . 25.0 112.645 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -99.95 -39.74 3.26 Favored Glycine 0 CA--C 1.492 -1.354 0 CA-C-N 114.175 -1.375 . . . . 25.0 112.017 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 p 44.9 -142.58 0.22 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 113.591 -1.305 . . . . 25.0 110.694 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -14.52 35.84 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 116.787 2.143 . . . . 25.0 116.787 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.33 140.31 58.02 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.75 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.91 51.73 4.6 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 108.919 -1.672 . . . . 25.0 108.919 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -151.86 144.82 24.47 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 103.933 -2.618 . . . . 25.0 103.933 -175.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -141.05 -179.56 6.16 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 112.516 0.562 . . . . 75.0 112.516 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.2 mp -113.35 141.42 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -114.21 149.72 35.36 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.14 74.92 0.05 OUTLIER Glycine 0 N--CA 1.465 0.631 0 C-N-CA 119.901 -1.142 . . . . 25.0 113.613 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.05 -74.88 0.06 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.226 2.851 . . . . 25.0 120.226 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.24 -175.93 10.26 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-O 122.56 1.089 . . . . 25.0 114.908 -173.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 169.29 8.75 Favored Glycine 0 C--N 1.313 -0.746 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.91 82.23 4.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.48 149.47 35.02 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -171.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.28 104.45 7.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.76 120.29 28.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 -171.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -112.16 136.04 52.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.51 -5.84 3.55 Favored Glycine 0 C--O 1.21 -1.396 0 N-CA-C 116.577 1.391 . . . . 25.0 116.577 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 18.42 -96.4 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 118.157 2.651 . . . . 25.0 118.157 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.78 166.54 53.19 Favored Glycine 0 C--O 1.257 1.535 0 CA-C-O 122.725 1.181 . . . . 25.0 115.242 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.46 166.76 35.21 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.22 -0.99 . . . . 25.0 111.073 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.11 130.86 10.45 Favored Glycine 0 C--N 1.316 -0.552 0 N-CA-C 106.918 -2.473 . . . . 25.0 106.918 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -124.34 157.33 35.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.945 0.373 . . . . 50.0 111.464 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.88 98.55 3.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.15 143.01 50.74 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.66 161.41 39.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.85 34.24 1.24 Allowed Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.208 -0.996 . . . . 25.0 114.01 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 17.44 -126.04 0.01 OUTLIER Glycine 0 CA--C 1.509 -0.313 0 N-CA-C 119.816 2.686 . . . . 25.0 119.816 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 146.25 55.18 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.743 -1.729 . . . . 25.0 113.329 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 -171.94 22.88 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-N 113.559 -1.655 . . . . 25.0 116.806 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -99.89 111.55 23.86 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 102.127 -3.286 . . . . 25.0 102.127 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -121.37 158.78 27.52 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.974 -1.012 . . . . 50.0 113.381 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -123.31 106.05 10.37 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.3 mt -120.56 106.79 12.12 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 110.506 -0.183 . . . . 25.0 110.506 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.7 142.43 34.36 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.407 -0.808 . . . . 25.0 110.283 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.17 -21.93 1.61 Allowed Glycine 0 C--O 1.224 -0.497 0 N-CA-C 115.744 1.058 . . . . 25.0 115.744 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.87 -131.9 50.05 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-O 126.206 3.115 . . . . 25.0 116.588 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.3 147.22 48.83 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 108.46 -3.87 . . . . 25.0 110.28 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 164.4 40.12 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 115.865 1.106 . . . . 25.0 115.865 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.32 67.44 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.779 1.232 . . . . 25.0 107.859 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -68.31 153.29 44.04 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.934 -1.485 . . . . 50.0 109.38 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.1 m -112.03 111.28 22.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.504 0.668 . . . . 25.0 109.279 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -103.98 127.96 51.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.933 -2.247 . . . . 25.0 104.933 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -114.46 138.23 50.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.373 0.606 . . . . 25.0 112.041 -169.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.59 102.29 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.833 . . . . 25.0 112.447 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.47 4.82 30.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 164.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.33 85.01 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.039 -1.437 . . . . 25.0 112.059 -171.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -84.39 -68.4 0.72 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.902 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -68.7 -23.01 64.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.565 1.174 . . . . 25.0 108.815 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.19 -6.33 47.13 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.269 -1.332 . . . . 25.0 111.458 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -141.18 48.52 1.67 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 23.2 pt20 -102.79 160.76 14.31 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.46 151.87 50.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.338 -0.846 . . . . 25.0 113.266 -176.615 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.88 169.34 21.96 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.132 -1.803 . . . . 25.0 106.132 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.32 -25.53 66.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.13 -4.8 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 25.0 112.072 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.4 151.09 5.34 Favored Glycine 0 C--N 1.317 -0.482 0 CA-C-N 115.137 -0.938 . . . . 25.0 113.956 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.8 t -118.45 136.8 53.58 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -125.41 92.27 3.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -128.27 164.84 21.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.75 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.67 118.11 30.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 50.0 109.67 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.81 105.09 17.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -81.87 124.45 39.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.2 mt -100.99 165.99 11.04 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 22.41 80.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -140.79 43.18 1.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 38.8 t0 -139.59 69.86 38.21 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -87.22 20.95 1.12 Allowed 'Trans proline' 0 CA--C 1.541 0.859 0 N-CA-C 110.221 -0.723 . . . . 25.0 110.221 163.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 58.99 4.2 0.39 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.788 1.635 . . . . 25.0 115.044 -171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -138.62 34.0 2.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.388 0.675 . . . . 25.0 110.698 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.59 19.97 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.575 -1.268 . . . . 50.0 107.575 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 127.26 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.233 1.016 . . . . 25.0 112.988 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.2 tp -121.85 128.32 51.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -112.99 114.36 26.79 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.444 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.11 14.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -68.02 -25.74 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.953 -0.467 . . . . 25.0 110.535 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.58 -9.07 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.11 -12.43 41.15 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.596 -1.261 . . . . 25.0 107.596 170.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.68 -51.69 4.5 Favored Glycine 0 C--O 1.228 -0.241 0 N-CA-C 108.808 -1.717 . . . . 25.0 108.808 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 71.32 157.36 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.349 1.459 . . . . 25.0 109.071 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.1 p -119.65 -16.64 8.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 -172.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 176.05 14.25 Favored Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 108.146 -1.982 . . . . 25.0 108.146 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.59 29.64 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.074 0.937 . . . . 25.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.45 60.44 2.82 Favored Glycine 0 C--O 1.225 -0.423 0 N-CA-C 115.574 0.99 . . . . 25.0 115.574 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.02 27.11 14.35 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.0 84.72 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 168.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.97 168.22 12.6 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.831 0.816 . . . . 25.0 109.514 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.58 38.27 27.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.845 0.858 . . . . 25.0 109.719 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.0 16.37 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 115.284 0.874 . . . . 25.0 115.284 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -72.0 172.5 9.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.74 0.77 . . . . 25.0 110.626 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.05 169.44 8.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.02 152.92 39.26 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.513 -2.032 . . . . 25.0 105.513 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.02 140.12 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -148.33 148.88 30.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.94 128.8 63.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -121.05 125.9 48.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.34 -22.82 57.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -66.84 -26.87 67.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 109.939 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.42 -9.79 37.66 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.98 34.81 14.51 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.259 1.028 . . . . 25.0 110.435 -175.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -130.24 153.7 48.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.01 -0.996 . . . . 25.0 112.519 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -126.15 108.54 11.42 Favored 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 103.576 -2.749 . . . . 25.0 103.576 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -93.33 143.86 25.87 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 111.62 -2.536 . . . . 25.0 109.215 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -127.81 121.12 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.01 165.06 36.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 -177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 t -115.26 151.12 35.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 103.314 -2.847 . . . . 25.0 103.314 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.66 2.05 3.42 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.68 -33.35 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.437 0.637 . . . . 25.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.3 p -132.06 132.48 43.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -126.13 -75.51 0.59 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.06 -1.427 . . . . 25.0 110.17 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.02 55.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.9 mp0 -76.83 -22.27 53.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.213 -1.358 . . . . 25.0 110.958 -176.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.2 79.24 0.08 OUTLIER Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.479 -1.448 . . . . 25.0 109.479 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 120.38 11.79 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 122.528 1.156 . . . . 25.0 109.602 -175.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.31 165.91 11.97 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.203 -1.817 . . . . 25.0 109.91 -167.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 51.6 p90 -90.3 152.99 20.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -146.75 140.99 26.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.98 161.84 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.8 t -138.39 143.51 39.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.03 126.8 29.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -78.45 112.3 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 150.24 174.85 21.81 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 106.97 -2.452 . . . . 25.0 106.97 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -118.17 30.12 7.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 17.78 0.06 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.38 65.07 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.864 -1.902 . . . . 25.0 105.864 169.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.05 59.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.36 -0.836 . . . . 25.0 109.477 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.86 3.4 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.986 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.2 116.64 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -158.42 165.65 34.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.56 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.269 0.557 . . . . 25.0 110.724 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.88 -33.52 70.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.005 -0.434 . . . . 25.0 110.023 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.61 -41.09 47.36 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.39 124.62 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.613 -0.679 . . . . 25.0 112.504 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.4 tp -95.97 132.38 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -146.15 168.13 21.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.41 29.82 2.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.562 0.696 . . . . 25.0 110.251 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.686 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.235 0.355 0 N-CA-C 114.856 1.06 . . . . 25.0 114.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -81.99 132.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.62 114.6 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-O 123.214 1.483 . . . . 25.0 108.084 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -136.43 2.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 112.653 -2.067 . . . . 25.0 110.554 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -127.0 168.13 14.97 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.275 -0.544 . . . . 25.0 110.694 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.47 2.75 49.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.464 0.65 . . . . 25.0 109.556 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.13 174.66 11.38 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -67.78 111.21 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.64 126.04 39.68 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.148 -1.056 . . . . 50.0 108.148 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.24 95.05 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 164.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.91 153.88 50.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -173.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -128.62 149.38 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.891 0.853 . . . . 25.0 112.119 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.425 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -104.88 -39.56 2.31 Favored Glycine 0 CA--C 1.496 -1.14 0 CA-C-N 113.975 -1.466 . . . . 25.0 111.583 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.2 p 45.94 -144.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.686 -1.257 . . . . 25.0 111.212 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.56 -10.17 7.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.795 2.146 . . . . 25.0 116.795 -170.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 137.98 58.02 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 174.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.64 44.54 3.37 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.143 -1.183 . . . . 25.0 110.143 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -150.53 157.19 42.71 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 104.193 -2.521 . . . . 25.0 104.193 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -140.81 -179.62 6.16 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 123.148 0.28 . . . . 50.0 111.557 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -117.61 138.96 46.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 122.977 0.511 . . . . 25.0 111.078 -167.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.4 t -114.15 148.64 36.89 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.8 72.98 0.1 OUTLIER Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.102 -1.047 . . . . 25.0 112.259 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.05 0.04 OUTLIER Glycine 0 C--O 1.238 0.352 0 N-CA-C 119.514 2.566 . . . . 25.0 119.514 -168.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.5 -177.06 12.51 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-O 122.814 1.23 . . . . 25.0 113.939 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 165.23 5.05 Favored Glycine 0 C--N 1.309 -0.93 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.19 81.74 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -79.18 152.16 30.86 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -128.68 104.12 7.47 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 104.948 -2.242 . . . . 25.0 104.948 171.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -125.65 119.82 29.07 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -109.98 136.81 48.66 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -6.15 2.85 Favored Glycine 0 C--O 1.208 -1.485 0 N-CA-C 115.448 0.939 . . . . 25.0 115.448 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 18.88 -96.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 118.263 2.69 . . . . 25.0 118.263 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.13 166.46 54.39 Favored Glycine 0 C--O 1.254 1.395 0 CA-C-O 122.531 1.073 . . . . 25.0 115.626 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.86 167.26 34.78 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.687 -0.965 . . . . 25.0 110.687 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.43 133.94 13.96 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 106.934 -2.466 . . . . 25.0 106.934 171.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.76 155.11 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.24 0.52 . . . . 50.0 111.051 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.78 99.73 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.68 134.29 53.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.81 116.74 20.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.341 -1.725 . . . . 25.0 106.341 172.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.65 -17.69 65.45 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 116.435 1.334 . . . . 25.0 116.435 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.44 -156.87 41.77 Favored Glycine 0 N--CA 1.425 -2.054 0 CA-C-O 125.446 2.692 . . . . 25.0 113.358 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 148.1 34.35 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.368 -3.416 . . . . 25.0 112.202 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -173.31 30.28 Favored Glycine 0 C--N 1.313 -0.718 0 CA-C-N 113.458 -1.701 . . . . 25.0 115.217 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -98.33 105.73 17.91 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.6 151.9 29.53 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.63 108.74 15.81 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 106.768 -1.567 . . . . 25.0 106.768 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -119.89 104.52 10.25 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 119.698 -0.191 . . . . 25.0 111.376 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.43 141.07 35.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.314 -0.866 . . . . 25.0 110.419 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -7.6 2.3 Favored Glycine 0 N--CA 1.462 0.418 0 N-CA-C 117.313 1.685 . . . . 25.0 117.313 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.15 -126.95 2.07 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-O 125.418 2.676 . . . . 25.0 118.514 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.2 144.7 49.47 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 109.492 -3.354 . . . . 25.0 111.523 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.31 161.35 36.56 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.44 0.936 . . . . 25.0 115.44 174.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.67 66.54 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -67.75 153.87 42.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.114 -1.403 . . . . 50.0 109.507 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.9 m -112.47 104.86 12.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -98.47 122.91 42.25 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.677 -3.083 . . . . 25.0 102.677 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -123.18 143.99 49.65 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.844 0.831 . . . . 25.0 111.975 -166.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.83 99.27 6.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.576 -1.193 . . . . 25.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.13 3.19 43.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 95.29 9.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.276 -1.329 . . . . 25.0 110.534 -175.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.79 -72.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.064 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -70.52 -19.08 62.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.891 1.329 . . . . 25.0 107.879 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -74.74 -10.32 59.4 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 113.822 -1.536 . . . . 25.0 111.922 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -130.75 36.56 3.89 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.632 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -102.05 164.8 11.51 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.57 155.0 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.87 168.21 25.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.713 -1.958 . . . . 25.0 105.713 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.51 66.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.62 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.57 0.7 . . . . 25.0 112.123 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.65 152.0 5.54 Favored Glycine 0 C--N 1.316 -0.571 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.468 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.7 p -118.79 143.03 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -125.89 92.46 3.6 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 103.75 -2.685 . . . . 25.0 103.75 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 p -125.36 177.9 5.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.347 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.68 111.84 17.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.84 105.27 17.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.62 121.32 37.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.6 mt -101.53 159.81 14.97 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.397 -0.223 . . . . 25.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.32 79.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 123.079 1.419 . . . . 25.0 114.423 -177.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.38 41.33 0.88 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 -169.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -140.78 72.23 29.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 117.749 2.5 . . . . 25.0 117.749 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.68 22.09 0.95 Allowed 'Trans proline' 0 CA--C 1.541 0.835 0 N-CA-C 110.22 -0.723 . . . . 25.0 110.22 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p 59.94 5.09 0.68 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.915 1.686 . . . . 25.0 114.549 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -144.63 53.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 155.9 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.465 -2.05 . . . . 50.0 105.465 173.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.04 128.58 55.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.326 1.06 . . . . 25.0 113.288 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.7 tp -119.06 131.79 55.98 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -120.31 119.13 32.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.283 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.26 14.25 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.9 -24.89 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.136 -0.353 . . . . 25.0 111.853 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.1 62.16 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.548 0.203 . . . . 25.0 111.548 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.2 mt -93.18 -9.2 40.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.87 -49.74 4.18 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 114.459 -1.246 . . . . 25.0 110.178 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 68.42 169.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.965 1.306 . . . . 25.0 109.739 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.0 p -124.88 -51.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.92 178.91 38.59 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 107.927 -2.069 . . . . 25.0 107.927 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.54 24.75 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.092 0.946 . . . . 25.0 109.006 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.25 64.14 2.08 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 61.56 22.76 13.16 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.38 10.5 82.01 Favored Glycine 0 C--N 1.323 -0.141 0 N-CA-C 118.061 1.984 . . . . 25.0 118.061 166.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -123.5 168.09 13.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.853 0.827 . . . . 25.0 109.821 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 38.28 29.29 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.808 0.843 . . . . 25.0 109.948 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.78 -8.12 45.33 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 p -77.46 171.82 14.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.078 0.939 . . . . 25.0 110.199 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.65 171.74 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.62 152.79 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.759 -1.941 . . . . 25.0 105.759 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -114.32 142.69 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -143.67 148.51 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.82 -1.918 . . . . 25.0 105.82 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.77 131.8 62.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.15 39.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -77.43 -29.08 52.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 25.0 110.96 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.06 -26.79 66.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.416 0.627 . . . . 25.0 109.798 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.72 -9.13 53.41 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.8 33.45 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.12 0.962 . . . . 25.0 111.527 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -132.1 155.54 47.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.677 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.2 t -127.91 108.6 10.83 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 103.737 -2.69 . . . . 25.0 103.737 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.59 142.66 27.09 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 111.848 -2.433 . . . . 25.0 109.168 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -130.28 125.9 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -158.0 165.34 35.35 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.4 t -115.38 151.28 34.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.227 -3.249 . . . . 25.0 102.227 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.78 5.71 2.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 113.742 1.015 . . . . 25.0 113.742 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -65.3 -32.84 74.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.607 0.718 . . . . 25.0 111.107 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.1 p -134.86 138.69 44.41 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -125.4 -73.65 0.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.715 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -81.83 -29.02 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.2 mp0 -77.2 -23.78 51.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.849 -175.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.15 79.46 0.1 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.766 -2.134 . . . . 25.0 107.766 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 115.9 5.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.841 1.305 . . . . 25.0 109.617 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.34 166.1 11.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 111.757 -2.474 . . . . 25.0 110.727 -162.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -76.31 152.37 36.43 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.01 130.15 18.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.5 164.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.76 147.41 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.03 132.33 39.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -80.7 113.81 19.15 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.6 179.54 21.94 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 106.839 -2.504 . . . . 25.0 106.839 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.56 32.3 6.15 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 17.11 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.42 65.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.05 -1.833 . . . . 25.0 106.05 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.28 -11.06 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.459 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.23 41.71 3.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.053 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.6 113.48 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -156.96 166.51 33.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.15 70.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.173 0.511 . . . . 25.0 110.743 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.22 -33.11 71.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.159 -0.338 . . . . 25.0 110.212 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.51 -41.22 40.08 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.1 mt -128.5 122.32 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.817 -0.552 . . . . 25.0 112.346 -175.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.3 tp -94.98 131.94 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.428 -0.952 . . . . 25.0 108.428 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.95 168.17 20.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.94 30.69 3.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.424 0.63 . . . . 25.0 111.439 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 N-CA-C 107.27 -1.382 . . . . 25.0 107.27 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo . . . . . 0 C--O 1.236 0.384 0 N-CA-C 113.729 0.627 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.15 129.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.01 114.23 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-O 123.099 1.428 . . . . 25.0 108.214 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.29 -137.71 2.24 Favored Glycine 0 C--N 1.314 -0.651 0 CA-C-N 112.834 -1.985 . . . . 25.0 110.739 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -122.0 170.27 9.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.146 0.498 . . . . 25.0 111.021 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.44 2.63 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.551 0.691 . . . . 25.0 109.367 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.21 175.59 10.17 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.47 111.61 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.919 -1.512 . . . . 25.0 106.919 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -95.93 126.81 41.44 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.06 95.19 4.88 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.45 154.01 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -173.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -128.64 148.14 50.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.907 0.861 . . . . 25.0 112.273 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.11 -41.71 1.76 Allowed Glycine 0 CA--C 1.497 -1.068 0 CA-C-N 113.835 -1.53 . . . . 25.0 111.1 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.2 p 44.82 -143.64 0.18 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.888 -1.156 . . . . 25.0 111.036 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.18 -9.82 5.48 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.811 2.152 . . . . 25.0 116.811 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 137.9 58.12 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 46.21 3.64 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 110.379 -1.088 . . . . 25.0 110.379 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.0 159.19 44.73 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 104.068 -2.568 . . . . 25.0 104.068 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -140.8 -179.48 6.08 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.145 0.424 . . . . 50.0 112.145 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.493 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.4 mp -121.59 140.13 46.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 123.045 0.538 . . . . 25.0 110.672 -168.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -118.61 159.24 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.51 79.07 0.06 OUTLIER Glycine 0 N--CA 1.462 0.433 0 C-N-CA 120.029 -1.081 . . . . 25.0 112.55 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.52 -80.82 0.01 OUTLIER Glycine 0 C--O 1.239 0.466 0 N-CA-C 119.083 2.393 . . . . 25.0 119.083 -167.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.28 -175.84 10.23 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-O 122.895 1.275 . . . . 25.0 113.442 -175.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.71 164.8 5.54 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 116.54 1.376 . . . . 25.0 116.54 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.3 81.97 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.64 152.47 29.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -170.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -128.04 103.98 7.53 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.39 118.1 25.94 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.306 -2.109 . . . . 25.0 105.306 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -106.16 136.04 46.56 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.739 -1.948 . . . . 25.0 105.739 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.81 -10.97 1.31 Allowed Glycine 0 C--O 1.21 -1.394 0 C-N-CA 120.221 -0.99 . . . . 25.0 115.369 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 18.78 -95.67 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.543 2.794 . . . . 25.0 118.543 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.75 54.92 Favored Glycine 0 C--O 1.251 1.215 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.49 167.23 33.87 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 110.936 -0.866 . . . . 25.0 110.936 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.83 131.85 11.39 Favored Glycine 0 C--N 1.315 -0.606 0 N-CA-C 107.045 -2.422 . . . . 25.0 107.045 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -127.68 154.58 45.13 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.151 0.476 . . . . 50.0 110.994 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.6 mt -139.28 101.47 4.26 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.43 131.44 53.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -170.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.69 114.14 18.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 171.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.5 -16.77 77.26 Favored Glycine 0 C--O 1.238 0.385 0 N-CA-C 116.214 1.246 . . . . 25.0 116.214 -174.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 70.67 -171.88 43.7 Favored Glycine 0 N--CA 1.422 -2.266 0 CA-C-O 124.437 2.132 . . . . 25.0 111.796 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.1 19.72 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 110.914 -2.643 . . . . 25.0 111.894 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -174.8 21.72 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 113.507 -1.679 . . . . 25.0 115.713 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 80' ' ' SER . 15.2 tpp85 -98.89 106.68 18.97 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 103.631 -2.729 . . . . 25.0 103.631 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.32 155.49 29.46 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -118.29 109.31 16.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.46 102.21 8.3 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -171.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.79 145.52 25.76 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.171 -0.956 . . . . 25.0 111.325 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.58 0.34 1.23 Allowed Glycine 0 N--CA 1.462 0.404 0 N-CA-C 117.719 1.848 . . . . 25.0 117.719 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 26.43 -123.66 0.05 OUTLIER Glycine 0 CA--C 1.507 -0.44 0 N-CA-C 120.253 2.861 . . . . 25.0 120.253 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -57.22 144.0 37.02 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 110.63 -2.785 . . . . 25.0 111.7 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.82 34.6 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 115.304 0.882 . . . . 25.0 115.304 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.64 66.31 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -68.7 155.28 40.38 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.286 -1.325 . . . . 50.0 109.227 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -114.2 96.34 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.65 0.738 . . . . 25.0 109.121 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -87.77 130.49 34.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 102.506 -3.146 . . . . 25.0 102.506 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -129.92 144.5 51.35 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.943 0.878 . . . . 25.0 113.149 -165.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.18 104.77 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.282 -1.327 . . . . 25.0 113.557 -170.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.47 13.5 34.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 102.663 -3.088 . . . . 25.0 102.663 160.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.7 mt -87.82 69.09 9.5 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 113.364 -1.744 . . . . 25.0 113.435 -168.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -76.27 -68.07 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.812 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -70.47 -24.42 62.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.202 1.001 . . . . 25.0 109.167 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.38 -9.57 58.68 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 114.922 -1.035 . . . . 25.0 111.715 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -140.71 48.2 1.73 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.819 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 24.9 pt20 -102.46 161.53 13.64 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -173.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 155.02 51.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.44 168.29 24.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.41 66.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -5.65 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 25.0 112.069 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.52 150.54 5.22 Favored Glycine 0 C--N 1.316 -0.569 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.612 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -118.35 141.31 48.66 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -125.57 92.57 3.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.658 -2.349 . . . . 25.0 104.658 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.411 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 11.1 p -127.72 161.58 28.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.126 0.488 . . . . 25.0 111.991 -170.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -95.7 115.64 27.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.655 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.2 105.72 17.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -83.36 124.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.47 159.48 15.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.302 -0.258 . . . . 25.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.19 80.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.996 1.379 . . . . 25.0 114.625 -177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.74 40.11 0.81 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 -170.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -141.13 71.95 27.55 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 117.756 2.502 . . . . 25.0 117.756 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.19 22.08 0.97 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 N-CA-C 110.306 -0.69 . . . . 25.0 110.306 164.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.2 5.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.728 1.611 . . . . 25.0 114.588 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -137.29 29.2 2.74 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.274 0.63 . . . . 25.0 110.662 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 156.76 19.31 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.262 -1.384 . . . . 50.0 107.262 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.4 130.16 55.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.231 1.015 . . . . 25.0 112.537 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -121.43 129.74 53.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.27 119.02 35.58 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -126.91 16.13 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -67.94 -26.36 65.92 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.959 -0.463 . . . . 25.0 111.023 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.79 -8.5 58.09 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.0 mt -89.5 -13.44 37.46 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.78 4.47 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 109.22 -1.552 . . . . 25.0 109.22 -172.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 69.58 159.36 0.18 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.222 1.409 . . . . 25.0 109.351 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.5 p -119.64 -18.83 8.28 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.68 -177.54 17.23 Favored Glycine 0 CA--C 1.506 -0.517 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 tp -119.65 129.2 54.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.86 44.03 0.21 Allowed Glycine 0 C--O 1.222 -0.612 0 N-CA-C 110.839 -0.905 . . . . 25.0 110.839 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 58.33 27.19 14.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.59 80.15 Favored Glycine 0 CA--C 1.512 -0.11 0 N-CA-C 117.257 1.663 . . . . 25.0 117.257 169.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -126.8 170.25 12.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.879 0.84 . . . . 25.0 109.701 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.79 37.77 27.16 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.834 0.854 . . . . 25.0 109.489 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.26 -22.8 3.56 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 115.468 0.947 . . . . 25.0 115.468 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.0 p -68.71 173.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.461 0.63 . . . . 25.0 111.883 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 169.77 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.741 0.782 . . . . 25.0 110.261 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.45 152.99 38.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.61 144.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.8 p -144.97 158.06 43.93 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.1 134.44 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.97 122.32 39.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.101 -2.185 . . . . 25.0 105.101 176.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -79.76 -26.24 40.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.877 0.37 . . . . 25.0 111.97 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -68.29 -26.45 65.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.696 0.76 . . . . 25.0 109.57 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.17 -8.56 50.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.628 -0.989 . . . . 25.0 110.628 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.77 33.93 9.27 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.178 0.991 . . . . 25.0 111.557 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -129.23 155.65 45.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.423 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -131.21 114.14 14.7 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.55 146.03 26.86 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 111.494 -2.594 . . . . 25.0 109.849 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.29 126.77 32.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -157.9 170.5 22.18 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.8 t -124.24 147.18 48.26 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.16 -2.904 . . . . 25.0 103.16 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.4 9.43 2.7 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.01 -30.35 71.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.618 0.723 . . . . 25.0 110.383 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -131.77 139.31 48.9 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.88 -66.19 1.08 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.794 -1.094 . . . . 25.0 111.802 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 -31.14 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.979 0.895 . . . . 25.0 108.671 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 14.3 mp0 -72.34 -29.51 63.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.391 -1.277 . . . . 25.0 110.328 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.14 69.94 0.28 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.441 -1.863 . . . . 25.0 108.441 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 118.48 8.74 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 122.674 1.226 . . . . 25.0 109.806 -176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -98.57 165.62 11.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 112.859 -1.973 . . . . 25.0 109.79 -168.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 40.2 p90 -84.61 153.53 23.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.426 -0.806 . . . . 25.0 109.796 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -139.51 135.23 33.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.8 m -136.32 163.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.4 t -144.17 146.94 33.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.94 134.41 38.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -81.16 111.89 18.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.35 179.61 25.36 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 107.017 -2.433 . . . . 25.0 107.017 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.49 27.79 8.37 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 15.9 0.06 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.88 63.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.208 -1.775 . . . . 25.0 106.208 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.25 -10.33 59.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.151 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.64 37.84 3.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.857 -0.61 . . . . 25.0 109.538 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.6 113.26 9.45 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.0 p -158.34 165.06 35.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.09 67.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.197 0.522 . . . . 25.0 110.858 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -73.47 -34.43 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.044 -0.41 . . . . 25.0 110.588 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.34 -38.97 49.17 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.291 0.496 . . . . 25.0 112.072 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.6 mt -128.68 125.22 63.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.997 -0.439 . . . . 25.0 111.845 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.3 tp -93.8 130.2 39.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.097 -1.446 . . . . 25.0 107.097 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -145.99 169.07 19.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.42 29.21 3.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.674 0.749 . . . . 25.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.04 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 32.3 Cg_exo . . . . . 0 N--CA 1.459 -0.515 0 N-CA-C 115.533 1.32 . . . . 25.0 115.533 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 mt -82.29 131.64 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.164 -1.791 . . . . 25.0 106.164 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -86.18 111.66 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 122.727 1.251 . . . . 25.0 107.861 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.77 -137.69 3.38 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 113.457 -1.701 . . . . 25.0 111.255 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -125.36 170.22 11.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.258 0.551 . . . . 25.0 111.092 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -88.78 3.73 50.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 25.0 109.544 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.97 173.31 12.72 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.5 101.42 1.59 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -86.77 120.0 27.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.7 95.77 5.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 104.732 -2.322 . . . . 25.0 104.732 165.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.3 mt -138.58 153.93 48.69 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -127.14 148.76 50.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.769 0.795 . . . . 25.0 112.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.1 -40.2 2.15 Favored Glycine 0 C--O 1.225 -0.438 0 CA-C-N 113.759 -1.564 . . . . 25.0 110.651 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p 46.97 -148.53 0.14 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.089 -1.055 . . . . 25.0 111.76 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.58 -12.79 7.26 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -170.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 140.83 58.01 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 53.11 4.67 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 108.962 -1.655 . . . . 25.0 108.962 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.47 144.83 24.78 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 105.597 -2.001 . . . . 25.0 105.597 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO 0.311 3.0 tp10 -140.97 156.18 46.1 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 124.952 1.407 . . . . 75.0 113.764 -175.308 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.15 137.01 44.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 C-N-CA 123.888 0.875 . . . . 25.0 109.863 -162.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 t -114.04 154.79 27.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.62 78.08 0.07 OUTLIER Glycine 0 C--N 1.321 -0.292 0 C-N-CA 119.943 -1.122 . . . . 25.0 112.857 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -77.1 0.02 OUTLIER Glycine 0 C--O 1.238 0.372 0 N-CA-C 119.59 2.596 . . . . 25.0 119.59 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -177.27 14.03 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-O 122.745 1.191 . . . . 25.0 113.784 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.01 164.0 5.47 Favored Glycine 0 C--N 1.31 -0.894 0 N-CA-C 116.517 1.367 . . . . 25.0 116.517 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.02 81.48 5.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.62 152.02 34.08 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -129.1 104.18 7.41 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -125.22 121.42 34.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.8 136.14 49.59 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.33 -9.68 2.05 Favored Glycine 0 C--O 1.211 -1.328 0 C-N-CA 120.195 -1.002 . . . . 25.0 115.492 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 19.9 -97.57 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 119.597 3.184 . . . . 25.0 119.597 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.52 169.48 54.36 Favored Glycine 0 N--CA 1.462 0.421 0 O-C-N 121.01 -1.056 . . . . 25.0 115.547 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.09 162.66 20.06 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-O 121.499 0.499 . . . . 25.0 112.209 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.67 131.97 11.97 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.43 155.21 45.13 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 117.687 0.744 . . . . 50.0 110.127 -167.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.92 101.89 4.15 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.63 135.34 53.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.475 0.655 . . . . 25.0 112.409 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.7 116.75 20.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.477 -1.238 . . . . 25.0 107.723 172.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.72 -19.1 62.3 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 116.651 1.421 . . . . 25.0 116.651 -173.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.02 -158.45 41.45 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-O 125.284 2.602 . . . . 25.0 113.139 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 149.51 30.94 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 109.554 -3.323 . . . . 25.0 111.993 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.87 30.36 Favored Glycine 0 C--N 1.314 -0.67 0 CA-C-N 113.443 -1.708 . . . . 25.0 115.059 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -99.33 104.81 16.74 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.52 152.91 26.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.901 1.074 . . . . 50.0 113.901 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -119.62 109.77 16.06 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 106.992 -1.484 . . . . 25.0 106.992 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.9 mt -121.7 101.45 7.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.193 -0.942 . . . . 25.0 110.404 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.89 -7.81 1.75 Allowed Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.665 1.426 . . . . 25.0 116.665 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.93 -128.87 1.12 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-O 125.5 2.722 . . . . 25.0 119.225 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.53 141.97 45.98 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 109.425 -3.388 . . . . 25.0 111.992 -176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.41 160.7 34.5 Favored Glycine 0 C--O 1.245 0.792 0 N-CA-C 115.592 0.997 . . . . 25.0 115.592 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.61 66.0 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.7 154.94 41.01 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.237 -1.347 . . . . 50.0 109.504 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.1 m -112.19 105.96 14.43 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -99.81 123.38 44.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 102.235 -3.246 . . . . 25.0 102.235 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -125.32 144.77 50.33 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.932 0.872 . . . . 25.0 111.869 -164.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -120.19 102.04 8.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.926 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.81 1.84 37.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 91.43 8.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.212 -1.358 . . . . 25.0 110.739 -175.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -85.75 -71.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.337 0.866 . . . . 25.0 113.337 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -69.98 -19.77 63.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.406 1.098 . . . . 25.0 108.161 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -74.46 -8.32 55.9 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.919 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -133.61 36.84 3.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.155 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -102.61 166.64 10.4 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 154.16 48.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.208 1.188 . . . . 25.0 114.208 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.8 p -150.78 170.68 18.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.78 65.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.62 -6.79 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.675 0.75 . . . . 25.0 111.939 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.22 150.66 5.26 Favored Glycine 0 C--N 1.315 -0.616 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.887 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -118.45 141.11 48.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -125.77 92.49 3.61 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 103.219 -2.882 . . . . 25.0 103.219 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -124.98 177.97 5.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.416 -169.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.65 112.18 18.11 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mp -95.47 104.19 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -83.67 126.28 40.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -101.83 165.77 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 23.15 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.733 2.123 . . . . 25.0 116.733 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.25 39.91 1.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.679 -1.601 . . . . 25.0 114.746 -170.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -139.53 70.95 38.39 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.81 22.33 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.925 0 N-CA-C 110.082 -0.776 . . . . 25.0 110.082 164.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.34 7.44 0.93 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.639 1.576 . . . . 25.0 114.422 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -146.25 54.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.19 22.34 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -111.2 123.53 50.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.2 tp -112.58 125.08 53.88 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -115.53 116.49 28.26 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.585 -0.279 . . . . 25.0 110.366 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.38 15.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.081 -0.387 . . . . 25.0 111.821 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.46 -13.61 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 122.261 -0.275 . . . . 25.0 111.719 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -89.65 -13.09 37.79 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.64 -50.34 4.31 Favored Glycine 0 C--O 1.236 0.241 0 N-CA-C 109.581 -1.408 . . . . 25.0 109.581 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 67.18 171.13 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.893 1.277 . . . . 25.0 108.241 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.86 -33.44 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 178.67 17.13 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 107.683 -2.167 . . . . 25.0 107.683 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.72 40.78 3.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.297 1.048 . . . . 25.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.92 4.4 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.496 -0.774 . . . . 25.0 114.735 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 58.55 27.98 16.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.81 84.71 Favored Glycine 0 N--CA 1.457 0.093 0 N-CA-C 117.624 1.81 . . . . 25.0 117.624 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -127.18 171.14 11.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.745 0.772 . . . . 25.0 109.514 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 37.6 28.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.784 0.834 . . . . 25.0 109.727 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.17 -9.45 32.9 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.294 0.878 . . . . 25.0 115.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -78.92 171.63 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.766 0.783 . . . . 25.0 110.62 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.05 171.78 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.92 152.87 48.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 p -109.46 145.65 15.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.6 t -143.52 149.45 37.48 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.78 136.53 53.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.2 p -120.88 122.01 39.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.923 -1.88 . . . . 25.0 105.923 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.16 -31.86 49.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.169 0.509 . . . . 25.0 110.665 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -69.74 -26.32 64.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.672 0.749 . . . . 25.0 109.546 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.55 -8.84 59.37 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.293 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.13 30.9 5.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.154 0.981 . . . . 25.0 112.594 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -132.69 158.75 41.54 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -134.69 116.34 14.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 102.563 -3.125 . . . . 25.0 102.563 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.49 149.34 24.94 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 112.226 -2.261 . . . . 25.0 109.775 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.78 127.69 42.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -157.62 168.97 25.75 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.9 t -119.68 154.27 34.32 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 102.905 -2.998 . . . . 25.0 102.905 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.04 2.48 2.35 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.6 -33.34 75.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.689 0.757 . . . . 25.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 44.2 p -133.39 138.6 46.36 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -122.71 -67.99 0.92 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.239 -1.346 . . . . 25.0 111.651 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.7 -29.66 16.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 15.7 mp0 -73.58 -26.56 60.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.208 -1.36 . . . . 25.0 110.094 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.75 73.44 0.22 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 108.25 -1.94 . . . . 25.0 108.25 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 125.6 24.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -119.79 165.99 13.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.67 -1.604 . . . . 25.0 110.011 -162.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.94 152.63 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.037 0.446 . . . . 25.0 112.176 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.03 127.74 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.49 161.84 36.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.5 t -144.37 148.1 34.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -136.29 132.87 36.3 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -80.09 113.52 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.97 179.54 19.75 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 106.62 -2.592 . . . . 25.0 106.62 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -120.56 32.23 6.09 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 14.15 0.08 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.521 1.304 . . . . 25.0 114.521 -175.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -28.91 62.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.05 -11.24 60.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.591 -0.731 . . . . 25.0 109.033 174.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.01 37.28 3.71 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.536 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.93 115.97 10.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.7 p -160.1 164.68 32.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.51 69.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.058 0.456 . . . . 25.0 110.612 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.59 -33.29 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.22 -0.3 . . . . 25.0 110.297 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.98 -40.21 39.98 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.0 mt -128.84 124.44 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.05 131.69 44.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -140.99 168.69 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.92 31.27 3.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.387 0.613 . . . . 25.0 111.505 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.234 0.288 0 N-CA-C 115.335 1.244 . . . . 25.0 115.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.16 129.63 37.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.19 115.97 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 123.066 1.412 . . . . 25.0 107.829 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -138.06 2.96 Favored Glycine 0 C--N 1.313 -0.747 0 CA-C-N 112.791 -2.004 . . . . 25.0 110.577 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -122.57 166.68 14.43 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.463 -0.433 . . . . 25.0 110.518 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -86.05 2.19 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.416 0.627 . . . . 25.0 109.68 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.0 176.47 9.8 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.37 110.72 4.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.746 -1.575 . . . . 25.0 106.746 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -88.62 124.06 33.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.269 -1.011 . . . . 50.0 108.269 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -110.63 95.34 5.5 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.766 -3.05 . . . . 25.0 102.766 166.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.07 153.68 45.59 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -129.85 150.32 51.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.894 0.854 . . . . 25.0 111.393 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.69 -38.04 2.46 Favored Glycine 0 CA--C 1.496 -1.141 0 CA-C-N 114.106 -1.406 . . . . 25.0 111.593 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 p 47.27 -147.46 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.932 -1.134 . . . . 25.0 111.727 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.26 -10.7 7.33 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 116.493 2.034 . . . . 25.0 116.493 -170.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 140.06 57.17 Favored 'General case' 0 C--O 1.247 0.952 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.44 41.74 3.09 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -144.59 148.99 35.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.282 3.5 tp10 -140.74 154.06 46.16 Favored 'General case' 0 C--O 1.211 -0.927 0 C-N-CA 123.997 0.919 . . . . 75.0 113.453 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -96.54 139.11 20.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 113.859 -1.519 . . . . 25.0 111.125 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -115.82 149.05 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.4 76.32 0.09 OUTLIER Glycine 0 N--CA 1.463 0.495 0 C-N-CA 119.994 -1.098 . . . . 25.0 112.471 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.91 -78.06 0.02 OUTLIER Glycine 0 C--O 1.238 0.355 0 N-CA-C 119.327 2.491 . . . . 25.0 119.327 -167.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.34 -175.67 10.13 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-O 122.759 1.199 . . . . 25.0 113.602 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.52 165.96 4.86 Favored Glycine 0 C--N 1.31 -0.865 0 N-CA-C 116.78 1.472 . . . . 25.0 116.78 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.24 81.96 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.56 152.28 30.2 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.9 104.2 7.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -127.05 120.66 29.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 106.234 -1.765 . . . . 25.0 106.234 -170.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.35 136.31 50.65 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 106.349 -1.723 . . . . 25.0 106.349 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.68 -3.96 6.35 Favored Glycine 0 C--O 1.211 -1.315 0 CA-C-O 119.003 -0.887 . . . . 25.0 115.134 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 19.53 -99.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.642 2.46 . . . . 25.0 117.642 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.09 167.32 54.28 Favored Glycine 0 C--O 1.255 1.445 0 CA-C-O 122.605 1.114 . . . . 25.0 115.446 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.2 167.42 35.9 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.011 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.92 136.48 19.83 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 106.416 -2.673 . . . . 25.0 106.416 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -127.96 155.14 44.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.393 0.596 . . . . 50.0 109.934 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 48.4 mt -140.61 98.26 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.24 135.37 55.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 25.0 111.652 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 113.28 14.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.27 -1.752 . . . . 25.0 106.27 171.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.42 -19.53 76.28 Favored Glycine 0 C--O 1.236 0.255 0 N-CA-C 116.221 1.249 . . . . 25.0 116.221 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 72.86 -169.35 52.7 Favored Glycine 0 N--CA 1.421 -2.31 0 CA-C-O 124.834 2.352 . . . . 25.0 112.279 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.59 148.41 24.23 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 110.38 -2.91 . . . . 25.0 111.026 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.53 -176.19 27.39 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 113.586 -1.643 . . . . 25.0 114.524 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -97.38 104.29 16.3 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -111.88 154.81 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -118.23 107.26 13.7 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.2 102.0 8.65 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 111.476 0.176 . . . . 25.0 111.476 -172.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.4 137.53 38.7 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.409 -0.807 . . . . 25.0 109.774 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.02 -16.35 3.28 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.65 -130.76 35.21 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 125.857 2.92 . . . . 25.0 116.723 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.15 146.36 50.8 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 108.775 -3.712 . . . . 25.0 110.858 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.22 160.89 36.97 Favored Glycine 0 C--O 1.244 0.763 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.43 67.58 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.79 153.25 42.36 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.799 -1.546 . . . . 50.0 108.951 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 m -115.08 102.26 9.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -95.12 128.49 42.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -127.25 142.22 51.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.949 0.88 . . . . 25.0 112.207 -165.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -122.26 101.32 7.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.35 -1.295 . . . . 25.0 112.762 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.14 14.02 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 102.092 -3.299 . . . . 25.0 102.092 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.8 mt -86.25 76.13 9.75 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 113.307 -1.77 . . . . 25.0 112.406 -170.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -77.86 -73.72 0.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.006 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.15 -19.46 62.42 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.352 1.073 . . . . 25.0 108.388 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -75.5 -11.94 60.13 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 114.729 -1.123 . . . . 25.0 111.765 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 45.78 2.4 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.121 0.486 . . . . 25.0 110.363 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -102.45 163.51 12.19 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.251 0.548 . . . . 25.0 112.473 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -140.18 153.31 46.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -178.061 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -150.9 168.32 24.87 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.5 66.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.25 -5.62 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 25.0 111.981 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.53 150.86 5.29 Favored Glycine 0 C--N 1.316 -0.562 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.165 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.8 p -117.84 140.9 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.78 92.3 3.57 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -125.78 178.59 5.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.323 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -117.21 111.21 19.13 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.71 105.15 17.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -86.88 120.77 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.62 160.69 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.35 -0.219 . . . . 25.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.25 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 123.4 1.572 . . . . 25.0 114.238 -177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -149.05 36.32 0.76 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 113.264 -1.789 . . . . 25.0 114.875 -169.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.59 69.84 45.26 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 117.326 2.343 . . . . 25.0 117.326 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.66 21.89 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.818 0 N-CA-C 110.04 -0.792 . . . . 25.0 110.04 164.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p 58.76 8.29 0.91 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 25.0 114.233 -170.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -145.26 54.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.12 155.84 24.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 173.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -111.44 131.05 55.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.384 1.088 . . . . 25.0 113.523 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -121.92 132.82 54.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -119.06 118.76 32.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.624 -0.262 . . . . 25.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.7 13.49 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -68.85 -23.94 64.29 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.022 -0.424 . . . . 25.0 111.248 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.86 61.56 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.505 0.193 . . . . 25.0 111.455 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.78 -14.41 34.6 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.8 -50.92 4.48 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 t80 71.89 161.5 0.24 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.55 1.54 . . . . 25.0 109.089 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -117.09 -21.06 9.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.49 177.42 14.88 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.69 34.77 5.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.945 0.878 . . . . 25.0 110.904 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.35 57.44 3.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 59.36 27.02 16.01 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.759 1.763 . . . . 25.0 115.759 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.59 7.97 85.4 Favored Glycine 0 CA--C 1.513 -0.058 0 N-CA-C 117.768 1.867 . . . . 25.0 117.768 167.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -125.01 169.04 12.51 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.633 0.716 . . . . 25.0 109.512 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.99 37.87 26.72 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.915 0.886 . . . . 25.0 109.485 -173.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.05 -14.47 14.32 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.38 170.84 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.735 0.768 . . . . 25.0 110.603 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.18 171.82 7.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.45 152.77 45.96 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.37 142.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -145.12 145.23 31.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.6 128.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.8 p -120.94 125.23 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -75.36 -23.56 57.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.87 -26.76 66.18 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.68 0.752 . . . . 25.0 109.728 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.13 -10.05 46.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.289 -1.124 . . . . 25.0 110.289 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.08 32.17 9.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.152 0.981 . . . . 25.0 111.375 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -131.11 152.9 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.688 -0.687 . . . . 25.0 112.806 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -122.24 104.64 9.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -90.73 145.46 24.79 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 111.402 -2.635 . . . . 25.0 109.237 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.58 127.91 41.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -157.76 165.36 35.56 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.36 151.22 36.37 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.021 -3.326 . . . . 25.0 102.021 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.69 5.88 2.44 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 -176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.3 -33.49 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.536 0.684 . . . . 25.0 111.225 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.7 p -134.76 136.63 42.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 106.56 -1.644 . . . . 25.0 106.56 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -128.67 -73.37 0.58 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.124 -1.398 . . . . 25.0 110.346 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -29.02 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.3 mp0 -78.47 -22.93 46.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.275 -1.329 . . . . 25.0 111.203 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.04 81.25 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.527 -2.229 . . . . 25.0 107.527 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 118.63 8.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 123.205 1.478 . . . . 25.0 109.838 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -179.58 5.11 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 112.014 -2.357 . . . . 25.0 110.024 -164.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.3 156.3 17.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.54 132.2 19.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.8 m -138.7 163.51 27.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -148.18 146.53 28.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -132.05 133.68 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -79.18 116.04 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.03 179.61 19.17 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 106.687 -2.565 . . . . 25.0 106.687 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.7 32.36 6.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 16.47 0.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.1 64.77 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.895 -1.891 . . . . 25.0 105.895 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.58 -8.54 57.02 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.417 -0.811 . . . . 25.0 109.418 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.25 39.84 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.117 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.3 117.77 17.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.8 p -158.82 164.59 35.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.81 68.42 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.162 0.506 . . . . 25.0 110.814 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.9 -32.6 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.094 -0.379 . . . . 25.0 110.257 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -41.0 42.59 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.216 0.462 . . . . 25.0 111.866 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.9 mt -128.34 124.96 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.98 -0.45 . . . . 25.0 112.119 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 52.5 tp -94.75 130.75 41.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -147.79 168.65 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.43 29.89 2.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.573 0.701 . . . . 25.0 110.861 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.983 0.326 . . . . 25.0 112.7 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -82.13 127.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.91 113.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.785 1.278 . . . . 25.0 108.524 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.44 -136.32 2.85 Favored Glycine 0 C--N 1.317 -0.501 0 CA-C-N 113.429 -1.714 . . . . 25.0 109.943 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -132.04 169.58 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.135 -0.626 . . . . 25.0 110.675 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -88.28 3.96 47.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 25.0 109.49 173.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.18 176.33 9.58 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.597 -1.26 . . . . 25.0 107.597 170.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.03 111.09 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.63 121.74 37.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -112.88 95.07 5.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -135.76 153.9 51.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -127.53 150.29 49.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.795 0.807 . . . . 25.0 111.147 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.89 -37.73 2.68 Favored Glycine 0 CA--C 1.504 -0.652 0 CA-C-N 114.109 -1.405 . . . . 25.0 110.909 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.6 p 47.51 -148.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.082 -1.059 . . . . 25.0 111.679 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.24 -12.66 14.01 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -171.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 139.38 58.16 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.12 38.67 3.19 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.237 -1.145 . . . . 25.0 110.237 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -140.22 139.75 35.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.416 -2.439 . . . . 25.0 104.416 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 4.7 tp10 -140.83 154.08 46.05 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.373 2.36 . . . . 75.0 117.373 -167.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.4 mp -88.32 138.06 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 113.187 -1.824 . . . . 25.0 114.026 -165.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -114.17 149.73 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.58 69.95 0.08 OUTLIER Glycine 0 N--CA 1.465 0.572 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -32.25 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.459 0.221 0 N-CA-C 120.144 2.817 . . . . 25.0 120.144 -169.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.18 -176.07 10.31 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-O 122.626 1.125 . . . . 25.0 114.748 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.22 171.15 9.24 Favored Glycine 0 C--N 1.314 -0.671 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 83.39 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -78.88 153.12 30.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -130.25 103.97 7.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 169.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.88 118.27 25.11 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.81 136.2 50.22 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.62 -3.48 8.5 Favored Glycine 0 C--O 1.214 -1.11 0 CA-C-O 119.232 -0.76 . . . . 25.0 114.813 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 21.39 -105.75 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 118.045 2.609 . . . . 25.0 118.045 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.37 52.58 Favored Glycine 0 C--O 1.24 0.481 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.82 172.14 35.56 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-O 122.5 1.056 . . . . 25.0 112.228 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 134.31 15.21 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 107.943 -2.063 . . . . 25.0 107.943 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -127.19 151.67 48.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.754 0.777 . . . . 50.0 109.279 -171.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 76.3 mt -132.17 98.03 4.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 140.72 50.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -145.51 165.7 27.84 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.59 29.09 1.05 Allowed Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.305 -0.95 . . . . 25.0 112.855 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 23.41 -128.7 0.02 OUTLIER Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 118.413 2.125 . . . . 25.0 118.413 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 145.18 56.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 112.154 -2.023 . . . . 25.0 113.545 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.0 -171.81 23.96 Favored Glycine 0 C--N 1.316 -0.566 0 CA-C-N 113.517 -1.674 . . . . 25.0 116.619 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -100.38 110.59 22.81 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 102.405 -3.183 . . . . 25.0 102.405 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.04 158.57 26.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.851 -1.068 . . . . 50.0 112.896 -170.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -120.25 105.86 11.35 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.368 -1.716 . . . . 25.0 106.368 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -124.55 120.14 31.1 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.37 139.36 52.9 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.17 0.441 . . . . 25.0 111.856 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.84 -20.38 4.16 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 115.821 1.088 . . . . 25.0 115.821 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.91 43.59 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-O 125.649 2.805 . . . . 25.0 116.475 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 145.59 53.49 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 109.156 -3.522 . . . . 25.0 110.314 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.73 164.2 40.1 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.411 0.924 . . . . 25.0 115.411 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.68 67.9 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.21 154.55 39.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.762 -1.563 . . . . 50.0 109.013 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.3 m -113.08 108.84 17.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 25.0 110.216 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -85.15 135.73 33.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.829 -1.915 . . . . 25.0 105.829 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -119.97 125.57 48.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.546 0.689 . . . . 25.0 110.732 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -121.68 97.58 5.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.51 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.97 14.36 28.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.847 -2.279 . . . . 25.0 104.847 166.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 87.7 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.44 -1.255 . . . . 25.0 111.979 -171.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -83.89 -61.81 1.73 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.96 0.409 . . . . 25.0 110.913 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -67.37 -26.99 66.74 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.418 1.104 . . . . 25.0 109.96 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.93 -6.29 48.43 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.506 -1.225 . . . . 25.0 111.4 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -140.03 47.91 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 21.7 pt20 -102.21 164.32 11.75 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 -171.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.71 151.86 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.189 -0.914 . . . . 25.0 111.616 -177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.8 p -150.68 170.88 18.13 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.9 67.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.1 50.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.14 161.92 8.92 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.514 -0.766 . . . . 25.0 114.236 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -118.69 138.36 52.68 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.859 0.362 . . . . 25.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.82 92.4 3.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.946 -2.242 . . . . 25.0 104.946 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.6 p -125.39 166.66 16.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.64 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -94.83 117.34 29.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.239 0.543 . . . . 50.0 109.688 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.54 106.7 18.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.55 115.99 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.04 157.42 16.88 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.604 0.362 . . . . 25.0 110.207 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.8 78.74 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 123.284 1.516 . . . . 25.0 114.383 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.33 38.33 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.408 -1.723 . . . . 25.0 115.503 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.0 69.96 49.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.25 20.99 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 N-CA-C 110.177 -0.74 . . . . 25.0 110.177 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 58.78 7.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.54 1.536 . . . . 25.0 114.601 -171.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.97 54.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.24 155.44 22.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.028 -1.842 . . . . 50.0 106.028 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -111.16 134.85 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.329 1.061 . . . . 25.0 113.696 -175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.6 tp -126.85 131.53 51.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.53 116.65 28.53 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.697 0.284 . . . . 25.0 110.649 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.15 9.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -71.82 -15.69 62.15 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.189 -0.319 . . . . 25.0 111.332 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.12 -23.85 66.57 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.912 0.387 . . . . 25.0 110.872 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.26 -2.91 26.41 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.83 -39.51 2.73 Favored Glycine 0 C--N 1.319 -0.413 0 CA-C-N 113.906 -1.497 . . . . 25.0 111.868 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.6 t80 69.66 163.98 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.313 1.445 . . . . 25.0 108.573 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 p -114.3 -27.66 7.53 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.51 173.14 13.22 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 107.92 -2.072 . . . . 25.0 107.92 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -121.41 32.47 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.352 1.076 . . . . 25.0 110.391 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.6 59.38 3.35 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 116.179 1.232 . . . . 25.0 116.179 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 60.67 25.69 15.45 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.98 81.85 Favored Glycine 0 CA--C 1.512 -0.155 0 N-CA-C 118.153 2.021 . . . . 25.0 118.153 165.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -125.42 167.93 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.765 0.782 . . . . 25.0 109.452 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.48 38.88 28.27 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 25.0 109.644 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.81 -15.41 15.04 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.387 -0.824 . . . . 25.0 115.125 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -73.04 171.86 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.722 0.761 . . . . 25.0 110.593 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.76 170.3 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.22 152.86 40.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.98 144.16 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -145.65 152.22 39.29 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.21 133.31 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.19 40.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -79.34 -26.94 42.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.161 0.505 . . . . 25.0 111.097 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.59 -26.4 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 25.0 109.504 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.71 -9.19 53.28 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.742 -0.943 . . . . 25.0 110.742 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.1 33.47 12.21 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.156 0.982 . . . . 25.0 111.454 -176.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -132.16 151.93 51.54 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -122.0 104.82 9.78 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -88.32 143.31 27.09 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 111.301 -2.681 . . . . 25.0 109.412 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.91 127.65 42.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -157.7 164.52 37.05 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.1 t -117.78 148.76 41.76 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 102.26 -3.237 . . . . 25.0 102.26 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.79 4.7 3.33 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.35 0.595 . . . . 25.0 111.439 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.3 p -133.03 130.28 39.2 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -128.33 -75.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.909 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.51 62.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.3 mp0 -78.03 -22.23 49.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.381 -1.282 . . . . 25.0 111.239 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.48 79.61 0.06 OUTLIER Glycine 0 C--O 1.224 -0.501 0 N-CA-C 109.831 -1.308 . . . . 25.0 109.831 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 126.28 27.22 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.774 1.273 . . . . 25.0 110.749 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -179.79 5.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 112.447 -2.16 . . . . 25.0 110.365 -167.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 42.5 p90 -110.85 159.82 17.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.028 0.442 . . . . 25.0 110.574 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -142.61 139.14 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 -174.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.62 163.53 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.9 t -145.38 142.15 29.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.75 130.72 52.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.68 113.89 14.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.46 -179.98 19.79 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 106.87 -2.492 . . . . 25.0 106.87 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -121.32 34.43 5.2 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 17.96 0.06 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.139 0.971 . . . . 25.0 113.494 -175.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.39 66.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 170.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.53 -6.05 56.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.376 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.9 42.3 3.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.264 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.4 124.98 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -161.81 166.15 26.82 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.77 -29.66 67.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.204 0.526 . . . . 25.0 110.822 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.61 -31.42 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.88 -0.513 . . . . 25.0 109.829 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.55 -41.63 45.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.104 0.411 . . . . 25.0 111.772 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.25 124.49 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 121.564 -0.71 . . . . 25.0 112.261 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.68 128.76 37.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -142.59 168.61 19.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.422 -1.696 . . . . 25.0 106.422 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.73 31.64 3.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.396 0.617 . . . . 25.0 111.005 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.234 0.317 0 N-CA-C 113.803 0.655 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mt -82.16 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -90.13 114.33 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-O 122.868 1.318 . . . . 25.0 107.525 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 -138.68 3.56 Favored Glycine 0 C--N 1.315 -0.632 0 CA-C-N 113.086 -1.87 . . . . 25.0 110.553 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -124.66 165.5 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.952 0.406 . . . . 25.0 110.492 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -86.04 2.07 47.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.39 0.614 . . . . 25.0 109.832 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.69 175.52 10.54 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 170.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.38 110.87 3.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.552 -1.647 . . . . 25.0 106.552 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -87.73 127.2 35.31 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 107.76 -1.2 . . . . 50.0 107.76 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -114.77 94.97 5.0 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 102.711 -3.07 . . . . 25.0 102.711 166.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.63 153.41 46.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -129.45 149.22 51.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 25.0 111.528 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.35 -40.04 1.99 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 114.035 -1.439 . . . . 25.0 111.385 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.0 p 45.25 -143.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.353 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.58 -11.45 7.17 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 138.32 58.0 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.26 44.3 3.35 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 109.682 -1.367 . . . . 25.0 109.682 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -149.85 153.85 37.42 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 103.828 -2.656 . . . . 25.0 103.828 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.1 tp10 -140.69 -179.9 6.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.842 0.353 . . . . 75.0 111.944 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.507 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.7 mp -116.01 139.33 43.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 25.0 112.657 -167.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.1 t -112.81 148.39 34.94 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.73 72.83 0.1 OUTLIER Glycine 0 N--CA 1.46 0.3 0 C-N-CA 120.217 -0.992 . . . . 25.0 112.368 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.94 -76.09 0.03 OUTLIER Glycine 0 C--O 1.238 0.378 0 N-CA-C 119.511 2.565 . . . . 25.0 119.511 -168.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.42 11.05 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-O 122.691 1.162 . . . . 25.0 114.011 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.59 165.43 4.66 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.57 81.6 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.59 150.93 32.65 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -129.11 104.1 7.36 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -127.24 121.2 30.55 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -111.11 136.05 50.72 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -6.52 3.58 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-O 119.11 -0.828 . . . . 25.0 115.097 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 16.47 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 118.708 2.855 . . . . 25.0 118.708 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.43 164.32 54.14 Favored Glycine 0 C--O 1.251 1.209 0 O-C-N 120.908 -1.12 . . . . 25.0 115.6 -175.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.96 167.77 33.62 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.33 133.34 12.69 Favored Glycine 0 C--N 1.314 -0.65 0 N-CA-C 107.071 -2.411 . . . . 25.0 107.071 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -126.7 153.6 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.355 0.578 . . . . 50.0 111.207 -169.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.17 98.48 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.65 133.08 53.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.543 0.942 . . . . 25.0 113.543 -171.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.36 117.79 22.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.69 -1.596 . . . . 25.0 106.69 172.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.37 -16.64 68.46 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.72 1.448 . . . . 25.0 116.72 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.35 -158.04 43.24 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-O 125.359 2.644 . . . . 25.0 113.056 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 148.55 32.61 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 109.439 -3.38 . . . . 25.0 112.104 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.34 -172.84 29.45 Favored Glycine 0 C--N 1.312 -0.755 0 CA-C-N 113.572 -1.649 . . . . 25.0 115.1 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -99.7 105.77 17.62 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -112.58 152.92 28.32 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 -170.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -118.87 109.21 15.75 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -120.88 107.04 12.23 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.353 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.74 142.69 33.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.231 -0.918 . . . . 25.0 110.507 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.07 -8.1 1.66 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.92 -125.79 1.84 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-O 125.146 2.525 . . . . 25.0 118.539 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.13 144.82 39.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 109.669 -3.266 . . . . 25.0 111.937 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.81 161.07 37.14 Favored Glycine 0 C--O 1.245 0.808 0 N-CA-C 115.662 1.025 . . . . 25.0 115.662 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.64 65.81 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.39 152.56 44.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.19 -1.368 . . . . 50.0 109.408 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.5 m -110.45 96.12 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.612 -0.885 . . . . 25.0 108.612 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -90.56 122.44 33.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 102.368 -3.197 . . . . 25.0 102.368 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.94 147.22 50.11 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 122.074 0.94 . . . . 25.0 112.094 -164.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.32 102.06 8.22 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.323 -1.308 . . . . 25.0 111.66 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.95 1.33 36.6 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 161.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.42 91.83 8.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.192 -1.367 . . . . 25.0 110.462 -176.112 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -85.93 -72.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.244 -0.889 . . . . 25.0 113.003 -173.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -70.52 -18.67 62.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.428 1.109 . . . . 25.0 108.179 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.24 -7.7 54.6 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 114.48 -1.236 . . . . 25.0 111.903 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 36.21 3.67 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.753 -0.658 . . . . 25.0 110.149 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.13 165.09 11.35 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.36 152.31 48.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -178.432 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.98 168.98 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.342 -1.725 . . . . 25.0 106.342 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.06 66.42 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.26 50.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.522 0.677 . . . . 25.0 112.009 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.15 152.8 5.7 Favored Glycine 0 C--N 1.316 -0.554 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.368 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.9 p -118.73 142.08 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -124.94 92.18 3.59 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 104.06 -2.57 . . . . 25.0 104.06 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -122.45 177.17 5.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.759 -0.655 . . . . 25.0 110.679 -170.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.44 112.51 18.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.17 105.39 17.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -85.55 122.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.44 159.91 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.62 79.91 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.059 1.409 . . . . 25.0 114.584 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.24 39.79 0.76 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -169.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.67 72.65 24.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 117.716 2.487 . . . . 25.0 117.716 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -87.73 22.76 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 110.324 -0.683 . . . . 25.0 110.324 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.63 7.96 1.16 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.665 1.586 . . . . 25.0 114.136 -171.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -146.12 55.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.49 155.95 23.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.858 -1.904 . . . . 50.0 105.858 174.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -111.24 125.13 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.175 0.988 . . . . 25.0 113.421 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 tp -114.43 125.05 53.39 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.063 -1.829 . . . . 25.0 106.063 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -116.1 119.53 36.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.792 -0.186 . . . . 25.0 110.67 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.41 13.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.1 p -66.01 -30.03 70.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.195 0.443 . . . . 25.0 112.195 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.91 61.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.58 -14.82 36.68 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.89 -50.78 4.22 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 109.131 -1.587 . . . . 25.0 109.131 -171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.6 t80 68.5 167.76 0.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.882 1.273 . . . . 25.0 109.037 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.3 p -121.16 -20.87 6.61 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 -174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.34 176.74 14.54 Favored Glycine 0 CA--C 1.507 -0.407 0 N-CA-C 108.864 -1.694 . . . . 25.0 108.864 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -125.44 34.72 4.88 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.15 0.975 . . . . 25.0 111.093 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.51 58.36 3.75 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.24 -0.891 . . . . 25.0 115.127 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 58.74 27.42 15.92 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.61 1.708 . . . . 25.0 115.61 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.89 9.78 83.96 Favored Glycine 0 CA--C 1.512 -0.123 0 N-CA-C 117.618 1.807 . . . . 25.0 117.618 168.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -126.2 168.88 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.737 0.769 . . . . 25.0 109.417 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.91 37.87 26.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.953 0.901 . . . . 25.0 109.588 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.3 -15.18 12.77 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.01 171.45 12.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.578 0.689 . . . . 25.0 110.303 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.14 171.79 7.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.17 152.79 44.01 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.696 -1.964 . . . . 25.0 105.696 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.89 142.58 24.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.786 -1.931 . . . . 25.0 105.786 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.6 t -144.88 150.65 37.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.17 132.8 63.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.39 122.22 40.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -78.81 -26.33 44.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.025 0.44 . . . . 25.0 111.133 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -68.37 -26.79 65.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.612 0.72 . . . . 25.0 109.524 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.69 52.24 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.52 -1.032 . . . . 25.0 110.52 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 32.33 10.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.236 1.015 . . . . 25.0 111.45 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -131.55 152.84 50.44 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -123.3 105.86 10.21 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.147 -2.538 . . . . 25.0 104.147 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.13 145.28 24.81 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 111.302 -2.681 . . . . 25.0 109.349 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.8 125.39 37.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -157.94 168.91 25.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -118.64 155.21 31.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 102.554 -3.128 . . . . 25.0 102.554 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.0 0.41 2.16 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 113.259 0.837 . . . . 25.0 113.259 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.95 -34.12 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.514 0.674 . . . . 25.0 110.873 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.1 p -133.16 133.64 43.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -127.95 -73.82 0.59 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.955 -1.475 . . . . 25.0 110.018 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.57 -28.87 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.18 -1.044 . . . . 25.0 108.18 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.6 mp0 -77.87 -21.05 51.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.207 -1.361 . . . . 25.0 111.08 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.74 82.33 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 107.909 -2.076 . . . . 25.0 107.909 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 118.01 7.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.959 1.361 . . . . 25.0 109.83 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -179.87 5.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.397 -2.183 . . . . 25.0 110.484 -166.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.69 157.76 16.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.766 -0.197 . . . . 25.0 111.443 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.01 129.76 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.06 164.18 25.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 106.816 -1.55 . . . . 25.0 106.816 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -134.33 131.66 38.6 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.82 114.01 17.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.26 -179.84 20.46 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.989 -2.444 . . . . 25.0 106.989 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.89 30.36 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 13.31 0.09 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.1 62.5 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 106.489 -1.671 . . . . 25.0 106.489 170.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.19 -11.84 60.4 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.505 -0.771 . . . . 25.0 108.923 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -114.34 37.53 3.34 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.766 -0.652 . . . . 25.0 109.435 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.51 115.19 9.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.8 p -159.85 164.68 33.42 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.2 69.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.106 0.479 . . . . 25.0 110.666 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.035 -0.415 . . . . 25.0 110.446 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -78.48 -37.63 42.91 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.06 127.47 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 112.816 0.672 . . . . 25.0 112.816 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.38 132.31 47.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.247 -1.39 . . . . 25.0 107.247 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.4 168.0 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.83 30.06 2.08 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.586 0.708 . . . . 25.0 110.844 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 C--O 1.236 0.376 0 N-CA-C 114.652 0.982 . . . . 25.0 114.652 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.6 131.82 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.57 114.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 123.143 1.449 . . . . 25.0 107.761 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.24 -137.29 2.55 Favored Glycine 0 C--N 1.314 -0.693 0 CA-C-N 112.693 -2.049 . . . . 25.0 110.094 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -127.56 164.57 21.68 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.375 -0.485 . . . . 25.0 109.804 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -85.82 2.53 45.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.441 0.639 . . . . 25.0 109.818 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.54 176.79 9.48 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 170.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.46 112.28 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.01 132.33 34.79 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -119.66 95.31 4.73 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 102.447 -3.168 . . . . 25.0 102.447 165.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -140.9 153.86 45.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -130.71 148.98 52.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.962 0.886 . . . . 25.0 111.886 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -40.88 1.8 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 113.88 -1.509 . . . . 25.0 111.005 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.3 p 46.04 -145.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.808 -1.196 . . . . 25.0 111.365 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.71 -8.53 4.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.792 2.145 . . . . 25.0 116.792 -170.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 137.73 58.14 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.49 45.96 3.59 Favored Glycine 0 C--O 1.224 -0.474 0 N-CA-C 110.407 -1.077 . . . . 25.0 110.407 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -151.39 157.33 42.27 Favored 'General case' 0 C--O 1.248 1.001 0 N-CA-C 104.305 -2.48 . . . . 25.0 104.305 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.68 -179.64 6.16 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -115.51 139.94 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 123.045 0.538 . . . . 25.0 111.322 -168.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 t -113.76 146.98 39.09 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.33 -1.73 . . . . 25.0 106.33 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.23 69.12 0.1 OUTLIER Glycine 0 N--CA 1.461 0.319 0 C-N-CA 120.036 -1.078 . . . . 25.0 112.359 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.09 -73.21 0.05 OUTLIER Glycine 0 C--O 1.238 0.356 0 N-CA-C 119.751 2.66 . . . . 25.0 119.751 -168.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.47 -176.69 11.83 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 122.659 1.144 . . . . 25.0 114.017 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.33 165.05 4.19 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 117.083 1.593 . . . . 25.0 117.083 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.04 81.18 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.43 151.18 31.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -169.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.62 104.86 7.9 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -126.56 123.29 37.38 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 104.782 -2.303 . . . . 25.0 104.782 -170.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -110.89 135.88 50.76 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.168 -1.79 . . . . 25.0 106.168 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.7 -9.69 2.21 Favored Glycine 0 C--O 1.21 -1.366 0 N-CA-C 115.496 0.958 . . . . 25.0 115.496 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 20.88 -101.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 118.008 2.595 . . . . 25.0 118.008 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.47 167.29 54.75 Favored Glycine 0 C--O 1.256 1.478 0 N-CA-C 115.879 1.111 . . . . 25.0 115.879 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.38 166.69 34.9 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 114.179 -1.01 . . . . 25.0 110.663 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.04 132.4 12.14 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.131 -2.388 . . . . 25.0 107.131 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -126.75 152.78 46.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.094 0.447 . . . . 50.0 111.138 -170.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -137.48 99.91 4.08 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.65 135.07 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.765 1.024 . . . . 25.0 113.765 -170.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.2 115.14 17.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 172.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -17.75 66.44 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 116.539 1.376 . . . . 25.0 116.539 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.17 -155.95 42.25 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.58 2.767 . . . . 25.0 113.765 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 148.6 35.29 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 109.16 -3.52 . . . . 25.0 112.086 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.22 -173.68 30.42 Favored Glycine 0 C--N 1.312 -0.765 0 CA-C-N 113.548 -1.66 . . . . 25.0 115.278 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -97.83 104.19 16.19 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 105.063 -2.199 . . . . 25.0 105.063 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -111.26 151.03 28.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.92 1.081 . . . . 50.0 113.92 -170.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -119.39 109.36 15.67 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.49 100.73 7.19 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 -171.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.29 145.36 24.51 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.215 -0.928 . . . . 25.0 110.584 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -5.29 1.31 Allowed Glycine 0 C--O 1.227 -0.328 0 N-CA-C 116.867 1.507 . . . . 25.0 116.867 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 32.45 -128.61 0.28 Allowed Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 119.989 2.756 . . . . 25.0 119.989 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.01 143.04 44.68 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 109.598 -3.301 . . . . 25.0 111.488 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.95 160.02 32.68 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 115.406 0.922 . . . . 25.0 115.406 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.13 67.67 8.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.594 -1.261 . . . . 25.0 107.594 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -70.54 158.35 36.27 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.743 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.3 m -115.8 107.13 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -100.58 123.54 44.93 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 102.71 -3.07 . . . . 25.0 102.71 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.47 144.26 50.62 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 121.806 0.812 . . . . 25.0 112.089 -165.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -120.37 101.99 8.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.533 -1.212 . . . . 25.0 112.317 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.43 2.86 39.82 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.465 -2.42 . . . . 25.0 104.465 162.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.59 93.44 9.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.118 -1.401 . . . . 25.0 110.679 -175.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -85.35 -72.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -71.29 -17.93 62.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.701 1.239 . . . . 25.0 107.665 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -75.04 -10.05 59.11 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 114.004 -1.453 . . . . 25.0 112.239 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.42 33.4 4.31 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.03 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.06 165.48 11.14 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.82 157.04 47.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.8 p -150.55 167.43 27.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.26 65.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -6.09 49.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 25.0 112.057 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.25 147.5 4.54 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.563 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.93 142.52 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.96 92.08 3.52 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 103.395 -2.817 . . . . 25.0 103.395 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -121.92 176.92 5.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.919 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.65 110.27 15.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.7 104.14 16.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -84.28 126.07 40.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.8 165.08 11.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 21.77 80.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.828 2.159 . . . . 25.0 116.828 -173.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.5 41.14 1.46 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.009 -1.45 . . . . 25.0 114.456 -170.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -138.6 71.19 44.51 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 117.528 2.418 . . . . 25.0 117.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -88.28 21.41 1.01 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 N-CA-C 110.058 -0.785 . . . . 25.0 110.058 164.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.1 6.29 0.67 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.739 1.616 . . . . 25.0 114.57 -170.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -145.46 53.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.86 155.46 20.78 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.602 -1.999 . . . . 50.0 105.602 174.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -111.05 129.68 55.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.236 1.017 . . . . 25.0 113.371 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 tp -120.04 133.24 55.59 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 174.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -122.22 117.41 26.1 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.242 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.12 13.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.0 p -67.46 -26.97 66.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.051 -0.405 . . . . 25.0 111.85 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.2 -15.39 62.46 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.657 0.265 . . . . 25.0 111.531 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.67 -11.3 40.18 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.04 -51.31 4.4 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 -171.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 t80 66.56 168.53 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.085 1.354 . . . . 25.0 109.987 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -119.07 -31.69 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.6 177.79 15.17 Favored Glycine 0 CA--C 1.509 -0.339 0 N-CA-C 108.871 -1.692 . . . . 25.0 108.871 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.36 36.6 4.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.07 0.938 . . . . 25.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.56 56.81 3.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.64 1.016 . . . . 25.0 115.64 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 59.73 26.2 15.29 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.881 1.808 . . . . 25.0 115.881 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.55 83.13 Favored Glycine 0 C--O 1.229 -0.177 0 N-CA-C 117.992 1.957 . . . . 25.0 117.992 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -123.8 167.64 13.79 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.818 0.809 . . . . 25.0 109.558 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.43 38.9 28.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.835 0.854 . . . . 25.0 109.783 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.77 -11.58 26.43 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.373 -0.831 . . . . 25.0 115.137 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.4 p -75.65 172.54 12.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.724 0.762 . . . . 25.0 110.504 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.08 168.57 9.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.03 152.84 39.35 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.43 140.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t -145.51 151.18 37.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.793 -1.929 . . . . 25.0 105.793 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.94 133.25 63.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.69 122.11 39.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.717 -1.957 . . . . 25.0 105.717 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -78.99 -23.35 44.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.723 -173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.85 -26.4 65.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.76 0.79 . . . . 25.0 109.397 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.36 -9.4 50.96 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.159 -1.176 . . . . 25.0 110.159 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.45 31.56 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.309 1.044 . . . . 25.0 111.351 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -130.25 149.13 52.08 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.2 t -118.1 103.9 10.32 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 103.841 -2.652 . . . . 25.0 103.841 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -88.19 140.61 29.3 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 111.163 -2.744 . . . . 25.0 109.252 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -127.87 122.43 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -157.82 167.0 31.25 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 t -114.3 153.51 29.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 103.69 -2.707 . . . . 25.0 103.69 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 3.24 2.65 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.3 -32.4 73.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.579 0.704 . . . . 25.0 110.581 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.7 p -135.14 139.85 44.95 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 104.697 -2.335 . . . . 25.0 104.697 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -113.05 -73.8 0.65 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.918 -1.037 . . . . 25.0 113.554 -174.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.74 -38.22 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.094 0.949 . . . . 25.0 108.693 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.679 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.4 mp0 -67.47 -30.53 70.26 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 113.973 -1.467 . . . . 25.0 110.429 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.42 64.34 0.54 Allowed Glycine 0 CA--C 1.501 -0.788 0 N-CA-C 106.66 -2.576 . . . . 25.0 106.66 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 119.82 10.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.339 1.066 . . . . 25.0 108.396 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.4 p -120.15 166.09 13.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.838 -1.983 . . . . 25.0 110.844 -160.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -64.56 148.55 50.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.34 125.6 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.683 -1.228 . . . . 25.0 107.683 171.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.66 165.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -145.55 148.69 33.46 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 tt -133.16 129.58 38.03 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.488 -1.301 . . . . 25.0 107.488 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -79.6 115.64 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.62 179.47 19.46 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 106.047 -2.821 . . . . 25.0 106.047 -174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.54 35.98 4.74 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 -176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 17.86 0.06 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 122.126 0.965 . . . . 25.0 113.415 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.71 64.97 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 170.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.31 -6.85 57.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.259 -0.882 . . . . 25.0 109.457 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.4 42.36 3.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.373 0.606 . . . . 25.0 110.265 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.65 124.55 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.6 p -162.39 165.91 25.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.57 67.72 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.092 0.472 . . . . 25.0 110.878 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.48 -31.55 65.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.998 -0.438 . . . . 25.0 109.976 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.84 -41.28 44.72 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.039 0.381 . . . . 25.0 111.773 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mt -128.96 124.91 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.772 -0.58 . . . . 25.0 112.545 -175.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.05 167.27 22.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.76 32.54 4.35 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.337 0.589 . . . . 25.0 111.319 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 107.052 -1.462 . . . . 25.0 107.052 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.461 -0.438 0 N-CA-C 115.027 1.126 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.32 131.92 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -85.33 114.04 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.033 1.397 . . . . 25.0 107.904 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.18 -136.31 1.91 Allowed Glycine 0 C--N 1.314 -0.665 0 CA-C-N 112.921 -1.945 . . . . 25.0 109.856 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -131.19 170.52 14.46 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.187 -0.596 . . . . 25.0 110.016 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -87.74 4.42 44.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.633 0.73 . . . . 25.0 109.299 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -80.19 175.65 10.46 Favored 'General case' 0 C--O 1.251 1.158 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 170.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -68.76 101.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 173.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.82 119.46 23.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -109.19 95.07 5.38 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 102.956 -2.979 . . . . 25.0 102.956 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -140.95 153.84 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -128.97 149.6 50.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.825 0.821 . . . . 25.0 111.202 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.82 -39.32 2.04 Favored Glycine 0 CA--C 1.5 -0.879 0 CA-C-N 114.06 -1.427 . . . . 25.0 111.338 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 p 48.22 -145.46 0.33 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.209 -0.995 . . . . 25.0 111.214 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.77 -7.16 6.99 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 138.38 58.25 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.3 3.12 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 110.525 -1.03 . . . . 25.0 110.525 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -152.26 149.56 28.84 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 104.795 -2.298 . . . . 25.0 104.795 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.308 2.2 tp10 -140.65 156.51 46.22 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.469 1.655 . . . . 75.0 115.469 -168.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.65 140.68 15.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.646 -1.161 . . . . 25.0 113.363 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -115.34 149.94 37.09 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 105.145 -2.168 . . . . 25.0 105.145 171.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.38 74.7 0.05 OUTLIER Glycine 0 N--CA 1.469 0.867 0 CA-C-N 119.674 1.125 . . . . 25.0 114.033 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.41 -74.13 0.07 OUTLIER Glycine 0 C--O 1.235 0.213 0 N-CA-C 120.632 3.013 . . . . 25.0 120.632 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.19 -176.07 10.33 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.498 1.055 . . . . 25.0 115.083 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.53 169.23 8.09 Favored Glycine 0 C--N 1.314 -0.67 0 N-CA-C 116.521 1.368 . . . . 25.0 116.521 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.7 81.8 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.89 148.76 38.04 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.17 104.35 7.01 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.161 -2.163 . . . . 25.0 105.161 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.49 120.43 28.3 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.22 136.27 50.55 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -3.86 4.36 Favored Glycine 0 C--O 1.212 -1.248 0 C-N-CA 120.169 -1.015 . . . . 25.0 114.7 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 16.58 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.84 167.03 54.67 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 116.108 1.203 . . . . 25.0 116.108 -174.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.33 163.52 26.19 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 117.845 0.823 . . . . 25.0 113.082 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.66 132.97 12.44 Favored Glycine 0 C--O 1.216 -1.006 0 N-CA-C 106.594 -2.602 . . . . 25.0 106.594 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -129.0 154.85 46.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.295 1.548 . . . . 50.0 110.794 -167.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.85 98.02 3.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.02 140.85 52.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.737 -0.665 . . . . 25.0 111.76 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.14 160.35 41.08 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.65 33.57 1.18 Allowed Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.144 -1.027 . . . . 25.0 113.888 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.95 -127.71 0.01 OUTLIER Glycine 0 C--O 1.238 0.357 0 N-CA-C 120.623 3.009 . . . . 25.0 120.623 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 146.53 52.9 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 112.157 -2.021 . . . . 25.0 112.649 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -172.06 24.68 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 113.647 -1.615 . . . . 25.0 115.886 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -101.92 110.51 22.5 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 103.39 -2.819 . . . . 25.0 103.39 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -119.29 155.84 31.07 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -122.77 107.01 11.43 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.59 109.45 15.26 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.56 143.45 33.7 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.4 -0.812 . . . . 25.0 110.09 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.48 -11.38 1.73 Allowed Glycine 0 C--O 1.222 -0.624 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.36 -128.98 7.11 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-O 125.745 2.858 . . . . 25.0 118.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -60.54 144.21 52.01 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 109.093 -3.554 . . . . 25.0 111.175 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.35 161.31 35.79 Favored Glycine 0 C--O 1.244 0.761 0 N-CA-C 115.669 1.028 . . . . 25.0 115.669 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.24 67.51 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.75 154.6 41.75 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.769 -1.559 . . . . 50.0 109.401 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -113.91 108.79 17.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 104.176 -2.528 . . . . 25.0 104.176 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -115.35 134.63 54.93 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.47 0.652 . . . . 25.0 111.485 -165.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -120.48 98.74 6.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.471 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.07 4.09 36.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.759 -2.311 . . . . 25.0 104.759 165.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.35 93.02 8.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.205 -1.361 . . . . 25.0 110.794 -175.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -84.41 -72.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.42 -19.36 62.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.795 1.283 . . . . 25.0 107.844 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -76.57 -9.19 58.48 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 114.081 -1.418 . . . . 25.0 112.235 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.16 33.29 4.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.769 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -101.99 165.43 11.18 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -136.66 156.3 48.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 178.503 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.51 167.45 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 171.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.27 64.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.66 -6.25 49.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.802 0.811 . . . . 25.0 111.992 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.48 147.14 4.46 Favored Glycine 0 C--N 1.316 -0.555 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.295 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.7 p -118.56 142.86 47.21 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -123.78 92.17 3.62 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 103.074 -2.935 . . . . 25.0 103.074 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 p -126.59 166.43 17.32 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.728 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.23 105.11 17.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.628 -1.249 . . . . 25.0 107.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.57 124.02 39.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 106.997 -1.482 . . . . 25.0 106.997 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.8 mt -101.87 165.74 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 22.31 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.57 42.91 1.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 115.545 1.683 . . . . 25.0 115.545 -170.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -140.29 71.41 33.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.942 2.571 . . . . 25.0 117.942 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.64 21.88 0.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 N-CA-C 110.135 -0.756 . . . . 25.0 110.135 163.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.3 3.91 0.42 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.855 1.662 . . . . 25.0 115.098 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -138.67 32.85 2.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.305 0.642 . . . . 25.0 110.901 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.21 155.14 20.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 50.0 106.962 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.31 131.08 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.202 1.001 . . . . 25.0 113.327 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 tp -121.71 130.48 53.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.13 111.64 19.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.13 14.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -67.78 -26.18 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.98 -0.45 . . . . 25.0 111.111 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.66 -17.32 62.85 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.665 0.269 . . . . 25.0 111.491 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 mt -89.85 -13.42 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.02 -51.14 4.51 Favored Glycine 0 C--O 1.236 0.22 0 N-CA-C 108.95 -1.66 . . . . 25.0 108.95 -170.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 67.26 168.89 0.25 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.216 1.406 . . . . 25.0 109.236 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -121.26 -23.37 5.75 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.97 179.88 16.11 Favored Glycine 0 CA--C 1.508 -0.382 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.76 38.42 4.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 122.096 0.95 . . . . 25.0 111.694 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.41 57.01 4.45 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.334 -0.848 . . . . 25.0 114.956 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 58.82 28.36 17.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.21 8.23 83.97 Favored Glycine 0 N--CA 1.458 0.102 0 N-CA-C 117.802 1.881 . . . . 25.0 117.802 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -125.72 168.61 13.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.775 0.788 . . . . 25.0 109.399 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.11 37.69 26.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.92 0.888 . . . . 25.0 109.493 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.51 -15.04 10.11 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 115.421 0.929 . . . . 25.0 115.421 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -72.79 171.91 11.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.608 0.704 . . . . 25.0 110.466 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.31 169.24 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.82 152.85 39.09 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.3 144.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.1 t -146.91 150.96 36.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.899 . . . . 25.0 105.871 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.78 131.79 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.99 122.28 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -76.54 -29.18 56.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.098 0.475 . . . . 25.0 111.28 -175.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -67.97 -26.7 66.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.414 0.626 . . . . 25.0 109.908 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.31 -9.89 52.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.691 -0.964 . . . . 25.0 110.691 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.25 33.29 12.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.131 0.972 . . . . 25.0 111.212 -175.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -132.43 155.95 47.57 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.481 -0.781 . . . . 25.0 112.775 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.5 t -128.42 109.43 11.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.421 -2.807 . . . . 25.0 103.421 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -93.95 142.55 27.25 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.882 -2.417 . . . . 25.0 109.288 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.36 124.03 29.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -157.56 168.07 28.35 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.1 t -115.59 153.44 31.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.09 4.81 2.28 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.92 -33.51 75.99 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.63 0.729 . . . . 25.0 110.945 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 33.0 p -135.11 140.74 45.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -111.13 -74.7 0.63 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.902 -1.044 . . . . 25.0 113.577 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.89 -37.7 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.673 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.51 -30.2 69.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.102 -1.408 . . . . 25.0 110.482 -174.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.35 64.08 0.54 Allowed Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 106.889 -2.484 . . . . 25.0 106.889 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 119.96 11.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.43 1.109 . . . . 25.0 108.357 -177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.4 p -122.55 165.35 16.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 112.802 -1.999 . . . . 25.0 110.899 -160.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.73 147.61 45.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.67 127.41 18.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 171.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.03 165.87 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -144.65 147.34 32.96 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -132.86 130.58 39.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -80.29 112.12 17.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.04 179.48 23.15 Favored Glycine 0 N--CA 1.436 -1.329 0 N-CA-C 106.614 -2.594 . . . . 25.0 106.614 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.84 32.04 6.25 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 17.03 0.07 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.31 65.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.77 -8.14 56.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.47 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.71 41.75 3.4 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.115 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.29 119.59 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.5 p -161.23 165.36 29.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.47 67.68 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.03 0.443 . . . . 25.0 110.764 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -72.15 -31.48 66.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.039 -0.413 . . . . 25.0 110.108 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.1 0.409 . . . . 25.0 111.728 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -128.11 122.21 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.754 -0.591 . . . . 25.0 112.269 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.4 tp -92.9 131.05 38.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -140.73 169.1 18.27 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.89 30.43 3.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.495 0.664 . . . . 25.0 110.884 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.236 0.39 0 N-CA-C 114.812 1.043 . . . . 25.0 114.812 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mt -82.1 133.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.32 112.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 122.77 1.271 . . . . 25.0 107.769 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.65 -136.95 3.11 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.414 -1.721 . . . . 25.0 110.54 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -130.93 166.39 21.04 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.35 -0.5 . . . . 25.0 110.301 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.96 3.54 45.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 25.0 109.915 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.25 174.02 11.99 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.46 101.33 1.22 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -81.52 120.71 25.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -108.77 94.88 5.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 102.85 -3.018 . . . . 25.0 102.85 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -140.94 153.43 45.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.9 148.25 49.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.342 0.592 . . . . 25.0 111.401 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.43 -39.43 1.78 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 109.552 -1.419 . . . . 25.0 109.552 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p 48.38 -147.87 0.24 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.115 -1.043 . . . . 25.0 111.364 -176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.94 -6.71 9.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.279 1.955 . . . . 25.0 116.279 -169.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.13 58.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 173.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.67 44.76 3.0 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.369 -1.093 . . . . 25.0 110.369 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -148.65 147.43 28.92 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 2.8 tp10 -140.94 153.99 45.88 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 115.877 1.806 . . . . 75.0 115.877 -174.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.11 137.79 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 125.484 1.514 . . . . 25.0 111.368 -165.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -105.33 148.36 27.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 68.09 0.08 OUTLIER Glycine 0 N--CA 1.466 0.648 0 C-N-CA 119.964 -1.112 . . . . 25.0 114.238 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -29.79 -75.61 0.03 OUTLIER Glycine 0 C--O 1.238 0.383 0 N-CA-C 120.102 2.801 . . . . 25.0 120.102 -168.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.62 -177.77 11.41 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 122.74 1.189 . . . . 25.0 114.41 -173.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.67 164.83 4.45 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.65 81.18 5.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -77.35 150.28 35.18 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -170.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -129.37 104.05 7.27 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -124.86 119.39 28.71 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 -170.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -106.42 135.98 46.97 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.16 -4.3 3.3 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 120.775 -0.726 . . . . 25.0 114.056 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 17.26 -103.76 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.652 3.205 . . . . 25.0 119.652 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.6 171.12 53.5 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 116.17 1.228 . . . . 25.0 116.17 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.79 164.59 33.83 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.377 -0.689 . . . . 25.0 111.377 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.32 131.76 10.77 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 106.959 -2.456 . . . . 25.0 106.959 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -127.33 155.21 43.93 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.556 0.678 . . . . 50.0 110.58 -165.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 28.0 mt -138.45 97.84 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -125.1 134.46 52.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.015 0.436 . . . . 25.0 111.501 -169.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -128.91 123.23 32.07 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.54 -20.5 58.32 Favored Glycine 0 C--O 1.229 -0.208 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.416 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 63.05 -155.47 42.6 Favored Glycine 0 N--CA 1.425 -2.099 0 CA-C-O 125.222 2.568 . . . . 25.0 112.812 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 147.49 35.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 109.595 -3.302 . . . . 25.0 112.502 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.05 -172.61 30.95 Favored Glycine 0 C--N 1.314 -0.667 0 CA-C-N 113.512 -1.677 . . . . 25.0 115.502 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.32 106.59 18.89 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -113.3 153.55 28.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.967 -1.015 . . . . 50.0 113.646 -171.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -119.98 109.41 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -121.17 101.64 7.79 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.28 144.39 27.12 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.234 -0.916 . . . . 25.0 110.959 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.21 8.0 1.88 Allowed Glycine 0 N--CA 1.464 0.533 0 N-CA-C 117.613 1.805 . . . . 25.0 117.613 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 21.4 -123.61 0.01 OUTLIER Glycine 0 C--O 1.241 0.551 0 N-CA-C 121.006 3.162 . . . . 25.0 121.006 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.45 145.27 48.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 111.07 -2.565 . . . . 25.0 110.52 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.56 156.58 28.61 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 114.485 0.554 . . . . 25.0 114.485 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 71.37 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.962 -1.866 . . . . 25.0 105.962 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.6 159.38 33.18 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.415 -1.72 . . . . 50.0 110.328 -174.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -114.98 96.59 5.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -89.0 123.06 32.97 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 103.295 -2.854 . . . . 25.0 103.295 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -115.63 139.23 50.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.862 0.839 . . . . 25.0 112.096 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -122.72 102.12 7.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.937 -1.028 . . . . 25.0 111.498 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.27 3.5 35.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 163.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 90.35 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.147 -1.388 . . . . 25.0 112.123 -173.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -82.36 -71.28 0.49 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -67.35 -22.26 65.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.692 1.234 . . . . 25.0 108.867 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -76.59 -7.45 55.24 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 114.263 -1.335 . . . . 25.0 112.104 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -134.55 36.66 3.14 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.742 -0.663 . . . . 25.0 110.072 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -102.06 166.05 10.83 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.49 153.03 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.702 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.3 p -150.92 167.97 25.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.67 -25.52 65.74 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.95 50.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 25.0 111.871 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.08 150.21 5.14 Favored Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.2 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -116.92 138.53 51.47 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -124.71 92.07 3.57 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -124.47 175.56 7.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.659 -0.7 . . . . 25.0 110.344 -170.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -119.49 111.89 18.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.08 104.58 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.0 mt -85.43 121.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.514 . . . . 25.0 106.914 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.59 158.83 15.8 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.57 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 122.993 1.377 . . . . 25.0 114.23 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -149.78 42.29 0.87 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.224 1.565 . . . . 25.0 115.224 -169.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 70.1 41.47 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.192 2.293 . . . . 25.0 117.192 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.6 21.31 1.09 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 N-CA-C 110.241 -0.715 . . . . 25.0 110.241 166.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.57 5.83 0.51 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.749 1.62 . . . . 25.0 115.248 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -139.7 29.49 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.243 0.617 . . . . 25.0 111.342 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.67 155.65 21.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 175.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -111.63 123.13 49.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.384 1.088 . . . . 25.0 111.502 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -106.69 115.3 29.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.176 -1.787 . . . . 25.0 106.176 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.09 113.41 26.63 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.966 -0.459 . . . . 25.0 110.648 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.42 14.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.27 -29.04 68.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.933 -0.48 . . . . 25.0 111.013 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.06 -15.59 62.02 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.4 -17.28 37.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.23 -50.41 4.25 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 108.557 -1.817 . . . . 25.0 108.557 -168.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 t80 66.43 170.73 0.24 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.9 1.28 . . . . 25.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.8 p -118.24 -35.03 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.74 18.9 Favored Glycine 0 CA--C 1.507 -0.441 0 N-CA-C 110.37 -1.092 . . . . 25.0 110.37 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.56 130.34 56.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.07 43.54 0.2 Allowed Glycine 0 C--O 1.221 -0.697 0 C-N-CA 120.83 -0.7 . . . . 25.0 111.789 -175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 58.89 26.04 14.4 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.47 8.18 83.6 Favored Glycine 0 C--N 1.328 0.11 0 N-CA-C 117.373 1.709 . . . . 25.0 117.373 169.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -123.57 169.52 11.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.999 0.9 . . . . 25.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.6 36.67 27.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.902 0.881 . . . . 25.0 109.621 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.15 -14.52 7.95 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.8 p -73.45 172.09 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.661 0.73 . . . . 25.0 110.542 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -104.04 168.53 9.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.532 0.682 . . . . 25.0 109.979 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.11 152.85 38.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.1 140.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -146.56 136.58 23.46 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.82 126.94 72.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 p -120.83 127.41 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.84 -19.81 58.62 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -66.8 -26.97 67.2 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.653 0.739 . . . . 25.0 109.961 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.54 -8.7 34.69 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.184 -1.166 . . . . 25.0 110.184 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 51.54 35.11 13.73 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.115 0.966 . . . . 25.0 110.569 -175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -128.56 147.27 50.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.36 -0.837 . . . . 25.0 112.979 -173.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.2 t -116.7 101.62 8.73 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -88.07 145.92 25.72 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 111.654 -2.521 . . . . 25.0 108.89 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.06 127.94 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -157.99 168.03 28.27 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 t -118.96 151.89 37.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 102.372 -3.195 . . . . 25.0 102.372 175.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.91 6.51 2.0 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.72 -32.92 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.556 0.693 . . . . 25.0 111.057 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.5 p -133.79 139.52 46.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.18 -75.96 0.58 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.952 -1.476 . . . . 25.0 110.617 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.36 -29.13 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.4 mp0 -76.56 -24.23 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.203 -1.362 . . . . 25.0 110.545 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.79 77.75 0.11 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.161 -1.575 . . . . 25.0 109.161 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 125.02 23.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.8 p -123.17 165.97 15.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.464 -1.698 . . . . 25.0 111.53 -160.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.14 147.31 40.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -144.69 126.83 15.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.91 164.36 25.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -146.28 145.17 30.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.33 132.33 41.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.86 113.24 18.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.33 179.41 26.09 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 106.5 -2.64 . . . . 25.0 106.5 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -120.98 30.22 6.97 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 16.76 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.69 66.49 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.103 -1.814 . . . . 25.0 106.103 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.08 -7.35 56.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.331 -0.85 . . . . 25.0 109.478 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.25 41.73 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.21 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.17 121.05 23.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.5 p -160.78 165.79 29.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.5 67.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.22 0.533 . . . . 25.0 111.105 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.25 -32.86 64.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.946 -0.471 . . . . 25.0 109.952 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.26 -38.84 50.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.3 mt -129.67 123.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 121.742 -0.599 . . . . 25.0 111.432 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -95.41 128.46 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -140.5 168.48 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.81 31.56 3.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.306 0.574 . . . . 25.0 111.125 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.234 0.279 0 N-CA-C 115.662 1.37 . . . . 25.0 115.662 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.11 131.74 33.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 105.858 -1.905 . . . . 25.0 105.858 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -88.13 115.32 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-O 123.018 1.39 . . . . 25.0 107.358 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.09 -139.09 3.43 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 112.973 -1.921 . . . . 25.0 110.504 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -119.42 162.95 17.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.044 0.45 . . . . 25.0 110.505 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -86.48 3.02 45.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 25.0 109.828 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.83 177.18 9.02 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 170.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.55 111.31 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -88.61 124.34 33.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -111.92 95.19 5.34 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 102.592 -3.114 . . . . 25.0 102.592 165.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.1 mt -140.95 153.83 45.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -129.88 150.21 51.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.951 0.881 . . . . 25.0 111.339 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.432 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.92 -38.92 2.25 Favored Glycine 0 CA--C 1.494 -1.259 0 CA-C-N 113.944 -1.48 . . . . 25.0 111.428 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 p 46.75 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.697 -1.251 . . . . 25.0 111.566 -176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.27 -10.51 11.15 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 137.81 58.07 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 175.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.41 3.17 Favored Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.567 -1.013 . . . . 25.0 110.567 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -148.01 151.37 35.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 3.5 tp10 -141.11 153.98 45.69 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 113.536 0.939 . . . . 75.0 113.536 -174.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.407 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -97.49 137.18 25.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.888 -1.506 . . . . 25.0 110.429 -163.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 t -111.92 147.45 35.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.44 73.8 0.12 Allowed Glycine 0 C--N 1.318 -0.447 0 C-N-CA 119.872 -1.156 . . . . 25.0 112.685 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.37 -76.06 0.03 OUTLIER Glycine 0 C--O 1.236 0.279 0 N-CA-C 119.475 2.55 . . . . 25.0 119.475 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.67 -176.07 11.38 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-O 122.642 1.135 . . . . 25.0 113.867 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.35 165.07 4.22 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 116.984 1.553 . . . . 25.0 116.984 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 81.6 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -78.85 152.89 31.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -130.34 104.11 7.08 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.81 121.26 31.4 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 -170.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.59 136.33 50.93 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.57 -5.41 5.01 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-O 118.907 -0.941 . . . . 25.0 115.059 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 19.62 -98.86 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.22 166.98 54.03 Favored Glycine 0 C--O 1.256 1.479 0 CA-C-O 122.901 1.278 . . . . 25.0 115.427 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.79 167.5 35.08 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 113.801 -1.2 . . . . 25.0 110.737 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.48 136.34 19.96 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 106.797 -2.521 . . . . 25.0 106.797 170.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -127.87 155.74 43.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.194 0.497 . . . . 50.0 110.096 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 2.6 mt -143.97 98.13 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.65 133.11 55.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -168.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' CG ' ' HE ' ' A' ' 64' ' ' ARG . 2.6 m-20 -118.61 118.36 31.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 171.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.23 -23.22 52.39 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.16 -158.29 38.62 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-O 125.586 2.77 . . . . 25.0 114.221 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.59 149.03 36.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 109.283 -3.459 . . . . 25.0 111.8 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.21 -173.75 29.2 Favored Glycine 0 C--N 1.312 -0.797 0 CA-C-N 113.575 -1.648 . . . . 25.0 115.043 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -98.28 104.05 16.05 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.015 -2.217 . . . . 25.0 105.015 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -112.16 147.45 36.12 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -113.69 109.52 18.72 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.1 mt -120.68 103.03 8.8 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 119.825 -0.131 . . . . 25.0 111.087 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.79 139.38 36.56 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.381 -0.824 . . . . 25.0 109.953 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.52 -16.88 2.46 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.951 1.54 . . . . 25.0 116.951 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.84 -133.49 36.11 Favored Glycine 0 N--CA 1.433 -1.522 0 CA-C-O 126.199 3.11 . . . . 25.0 117.168 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.96 145.62 52.4 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 108.322 -3.939 . . . . 25.0 110.753 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.44 162.05 36.08 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.456 0.942 . . . . 25.0 115.456 174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.98 67.1 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -68.16 153.02 44.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.856 -1.52 . . . . 50.0 109.603 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -112.57 105.54 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -99.59 121.0 40.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 102.951 -2.981 . . . . 25.0 102.951 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HE ' ' CG ' ' A' ' 46' ' ' ASP . 39.2 ptt180 -118.62 145.41 45.45 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.834 0.826 . . . . 25.0 112.084 -166.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -122.47 100.54 6.99 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.43 -1.259 . . . . 25.0 111.214 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.32 1.5 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.078 -2.564 . . . . 25.0 104.078 161.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.66 90.32 8.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.179 -1.373 . . . . 25.0 110.869 -175.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -86.83 -72.0 0.53 Allowed 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.13 -17.81 63.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.522 1.154 . . . . 25.0 108.234 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -74.42 -7.06 51.68 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-N 114.457 -1.247 . . . . 25.0 111.881 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -131.6 35.43 3.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.337 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.0 164.5 11.68 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.07 151.46 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.85 171.22 17.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.74 66.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.98 -6.79 54.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.706 0.765 . . . . 25.0 112.023 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.42 151.36 5.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.841 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 p -118.83 140.21 50.33 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 122.285 -0.538 . . . . 25.0 109.967 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -123.29 92.11 3.62 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 102.851 -3.018 . . . . 25.0 102.851 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -123.73 177.81 5.53 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.164 -169.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.1 124.99 45.21 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -107.37 104.44 14.03 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -87.23 119.78 35.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -101.7 159.65 15.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.83 80.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.98 43.86 0.98 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -142.93 72.91 18.79 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 118.411 2.745 . . . . 25.0 118.411 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -88.12 22.17 0.92 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 N-CA-C 110.438 -0.639 . . . . 25.0 110.438 164.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.71 6.12 0.81 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.77 1.628 . . . . 25.0 114.525 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -145.32 54.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 154.77 21.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 174.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -111.21 128.95 56.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.39 1.091 . . . . 25.0 113.421 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.09 131.09 54.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.51 115.24 23.05 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.176 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.4 14.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.6 p -66.83 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.014 -0.429 . . . . 25.0 111.578 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.75 -14.26 61.95 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.77 0.285 . . . . 25.0 111.77 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.1 -14.19 39.46 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.11 -51.39 4.4 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 108.818 -1.713 . . . . 25.0 108.818 -169.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 66.24 170.15 0.23 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.928 1.291 . . . . 25.0 109.192 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.5 p -121.2 -32.78 3.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.6 178.05 15.66 Favored Glycine 0 CA--C 1.508 -0.365 0 N-CA-C 108.423 -1.871 . . . . 25.0 108.423 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -122.44 36.33 4.66 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.956 0.884 . . . . 25.0 111.584 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.99 56.46 3.93 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.644 1.018 . . . . 25.0 115.644 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 59.32 26.69 15.58 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.85 7.01 84.63 Favored Glycine 0 CA--C 1.512 -0.102 0 N-CA-C 117.855 1.902 . . . . 25.0 117.855 167.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -123.79 168.68 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.719 0.759 . . . . 25.0 109.557 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.64 37.78 27.51 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.82 0.848 . . . . 25.0 109.661 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.96 -10.45 26.27 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -76.86 172.33 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.778 0.789 . . . . 25.0 110.263 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.44 168.21 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.55 152.87 37.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.8 p -115.88 140.67 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -144.36 134.44 24.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 126.28 71.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 p -120.68 129.89 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 -25.5 59.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -68.83 -25.78 64.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.622 0.725 . . . . 25.0 110.029 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.48 -14.4 38.2 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.83 33.56 14.54 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.243 1.021 . . . . 25.0 110.184 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -131.83 151.33 51.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.543 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -120.86 102.81 8.61 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -88.3 142.14 27.98 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 111.888 -2.415 . . . . 25.0 109.058 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.48 122.7 26.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -157.79 167.26 30.55 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 t -117.53 149.98 39.71 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.974 -2.973 . . . . 25.0 102.974 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.87 4.7 2.56 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.73 -34.1 77.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 111.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.0 p -135.41 138.63 43.46 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -126.29 -63.93 1.07 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.305 -1.316 . . . . 25.0 111.361 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.84 -28.76 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.6 mp0 -77.0 -24.13 52.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.11 -1.405 . . . . 25.0 110.458 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.8 80.44 0.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 106.231 -2.748 . . . . 25.0 106.231 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 118.94 9.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 122.955 1.36 . . . . 25.0 109.144 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -179.37 5.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 112.211 -2.268 . . . . 25.0 110.148 -164.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -104.92 154.91 19.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.573 0.225 . . . . 25.0 110.977 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.82 129.33 16.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.695 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.86 164.02 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 93.0 p -146.67 152.7 39.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.54 133.62 38.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.87 111.93 18.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.0 177.8 24.34 Favored Glycine 0 N--CA 1.438 -1.207 0 N-CA-C 106.764 -2.534 . . . . 25.0 106.764 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.29 28.72 8.05 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 15.85 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.9 -29.35 63.08 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.13 -8.86 57.75 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.177 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.83 39.12 3.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.923 -0.581 . . . . 25.0 109.967 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.03 117.82 16.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.1 p -160.12 164.77 32.72 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.198 0.523 . . . . 25.0 110.852 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.35 -33.36 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.131 -0.356 . . . . 25.0 110.235 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.79 -41.46 37.24 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.267 0.469 . . . . 25.0 112.267 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.44 123.73 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.858 -0.526 . . . . 25.0 112.304 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.76 132.08 42.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -140.95 168.58 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.3 31.55 3.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 111.41 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 C--O 1.233 0.233 0 N-CA-C 115.118 1.161 . . . . 25.0 115.118 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.34 129.61 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.87 -1.9 . . . . 25.0 105.87 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.93 110.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 122.787 1.279 . . . . 25.0 108.078 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.77 -139.37 3.36 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 113.322 -1.763 . . . . 25.0 110.091 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -122.63 166.0 15.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.92 0.391 . . . . 25.0 110.258 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -85.98 2.4 46.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 25.0 109.636 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.72 175.95 10.23 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.21 112.48 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.742 -1.577 . . . . 25.0 106.742 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -89.7 136.27 33.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.2 95.08 4.55 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 102.533 -3.136 . . . . 25.0 102.533 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 mt -140.76 153.95 46.08 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -174.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -131.81 149.83 52.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.825 0.822 . . . . 25.0 111.786 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.414 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.15 -41.02 1.86 Allowed Glycine 0 CA--C 1.497 -1.053 0 CA-C-N 113.929 -1.487 . . . . 25.0 110.723 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.7 p 44.99 -145.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.849 -1.175 . . . . 25.0 111.399 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.57 -11.44 11.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -170.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.31 140.47 57.98 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.53 48.01 3.95 Favored Glycine 0 C--O 1.222 -0.611 0 N-CA-C 110.294 -1.122 . . . . 25.0 110.294 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 157.88 43.75 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.2 tp10 -140.9 -179.59 6.15 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.027 0.751 . . . . 75.0 113.027 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.542 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 23.7 mm -109.12 136.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.286 0.634 . . . . 25.0 111.393 -167.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -117.28 153.63 32.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 171.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.9 71.41 0.05 OUTLIER Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.108 -1.044 . . . . 25.0 112.285 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -74.83 0.04 OUTLIER Glycine 0 C--O 1.237 0.289 0 N-CA-C 119.426 2.53 . . . . 25.0 119.426 -168.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.02 11.05 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-O 122.647 1.137 . . . . 25.0 113.884 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.7 164.05 4.14 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.98 1.552 . . . . 25.0 116.98 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.85 81.3 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -79.8 151.04 30.52 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.675 0.991 . . . . 50.0 113.675 -170.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -127.38 106.28 9.1 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 105.094 -2.187 . . . . 25.0 105.094 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.63 123.9 36.71 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -111.8 136.13 51.49 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.34 -11.05 1.38 Allowed Glycine 0 C--O 1.211 -1.295 0 N-CA-C 115.48 0.952 . . . . 25.0 115.48 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 19.09 -96.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.275 2.695 . . . . 25.0 118.275 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.93 167.77 54.53 Favored Glycine 0 C--O 1.257 1.587 0 CA-C-O 122.533 1.074 . . . . 25.0 115.625 -174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.53 166.05 34.03 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.196 -1.002 . . . . 25.0 110.675 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.27 132.19 11.88 Favored Glycine 0 C--N 1.317 -0.485 0 N-CA-C 106.887 -2.485 . . . . 25.0 106.887 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -127.1 156.17 42.15 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.919 0.36 . . . . 50.0 111.696 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -139.67 103.18 4.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.1 133.02 53.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -171.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.4 113.22 15.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.433 -1.691 . . . . 25.0 106.433 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.05 67.47 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.679 1.431 . . . . 25.0 116.679 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.25 -157.76 39.74 Favored Glycine 0 N--CA 1.425 -2.046 0 CA-C-O 125.41 2.672 . . . . 25.0 113.597 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 149.05 37.1 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 109.405 -3.397 . . . . 25.0 111.917 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.48 -174.73 28.59 Favored Glycine 0 C--N 1.313 -0.703 0 CA-C-N 113.521 -1.672 . . . . 25.0 114.988 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -97.57 104.37 16.39 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.599 -2.371 . . . . 25.0 104.599 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -111.57 149.38 31.52 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.765 1.024 . . . . 50.0 113.765 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -117.48 109.34 16.62 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.1 mt -121.69 99.47 6.48 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.548 0.574 . . . . 25.0 112.548 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.13 145.02 24.84 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.082 -1.011 . . . . 25.0 111.158 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.53 -2.14 1.55 Allowed Glycine 0 N--CA 1.464 0.56 0 N-CA-C 117.436 1.735 . . . . 25.0 117.436 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 29.81 -127.49 0.12 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 120.315 2.886 . . . . 25.0 120.315 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.47 143.57 39.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 109.859 -3.171 . . . . 25.0 111.442 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.46 161.42 33.7 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.09 68.32 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -72.29 156.02 39.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.953 -1.476 . . . . 50.0 109.911 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -112.07 108.66 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.642 0.734 . . . . 25.0 109.091 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -101.45 124.04 46.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 102.407 -3.183 . . . . 25.0 102.407 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -123.69 142.47 51.04 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.849 0.833 . . . . 25.0 111.834 -165.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.09 102.74 8.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.493 -1.23 . . . . 25.0 112.262 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.64 2.27 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.096 -2.557 . . . . 25.0 104.096 160.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 90.72 8.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.237 -1.347 . . . . 25.0 111.033 -175.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -86.67 -72.8 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.276 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.1 -17.98 63.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.631 1.205 . . . . 25.0 108.247 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.42 -9.83 59.1 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 114.253 -1.34 . . . . 25.0 111.733 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -131.82 40.74 3.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.384 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -102.46 164.41 11.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.67 151.58 46.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.114 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.8 p -150.84 169.45 21.65 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.406 -1.702 . . . . 25.0 106.406 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -25.11 66.97 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.3 -4.83 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.694 . . . . 25.0 112.176 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.59 154.25 6.09 Favored Glycine 0 C--N 1.317 -0.476 0 CA-C-N 115.209 -0.905 . . . . 25.0 113.588 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.65 140.15 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.75 92.28 3.57 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.338 -2.467 . . . . 25.0 104.338 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 p -120.57 178.87 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.997 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -120.35 110.31 16.39 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.51 104.73 16.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.9 mt -84.43 123.51 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.423 -1.325 . . . . 25.0 107.423 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.79 158.75 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.01 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.08 1.352 . . . . 25.0 114.53 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -150.53 44.47 0.86 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 115.729 1.751 . . . . 25.0 115.729 -169.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 41.3 t0 -141.72 72.53 24.45 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -87.13 21.79 1.01 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.466 -0.628 . . . . 25.0 110.466 164.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.41 4.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 125.832 1.653 . . . . 25.0 114.983 -171.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -139.43 31.45 2.11 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.298 0.639 . . . . 25.0 110.802 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.85 155.91 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -111.16 130.62 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.224 1.012 . . . . 25.0 112.913 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -120.79 134.34 55.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 105.364 -2.087 . . . . 25.0 105.364 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -122.03 116.49 24.38 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.34 13.86 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -67.4 -27.63 67.24 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.935 -0.478 . . . . 25.0 111.356 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.07 -14.69 61.92 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.628 0.251 . . . . 25.0 111.648 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.64 -13.6 36.73 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 -51.43 4.5 Favored Glycine 0 C--O 1.237 0.318 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 -169.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.0 t80 67.08 169.04 0.25 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.192 1.397 . . . . 25.0 109.592 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.6 p -118.07 -32.66 4.67 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.13 177.88 15.33 Favored Glycine 0 CA--C 1.509 -0.344 0 N-CA-C 108.528 -1.829 . . . . 25.0 108.528 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 tp -122.33 40.12 3.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.048 0.928 . . . . 25.0 111.081 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.22 56.67 4.39 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 115.258 -0.883 . . . . 25.0 114.87 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 58.61 26.13 14.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.56 1.689 . . . . 25.0 115.56 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.76 7.51 84.07 Favored Glycine 0 CA--C 1.511 -0.16 0 N-CA-C 117.728 1.851 . . . . 25.0 117.728 168.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -121.48 167.86 12.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.06 0.93 . . . . 25.0 109.844 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.37 38.17 28.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.799 0.839 . . . . 25.0 109.921 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.23 -9.94 30.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 115.269 0.867 . . . . 25.0 115.269 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.3 p -76.72 171.89 13.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.727 0.763 . . . . 25.0 110.073 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.3 168.92 8.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.8 152.77 41.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.37 141.2 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.4 t -146.22 149.26 33.58 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.591 -2.003 . . . . 25.0 105.591 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.67 131.51 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -121.0 122.28 39.8 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.87 -19.55 51.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.562 0.949 . . . . 25.0 113.562 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.59 -26.35 66.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.402 0.62 . . . . 25.0 109.988 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.91 -4.72 39.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.225 -1.15 . . . . 25.0 110.225 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.74 33.82 9.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.279 1.031 . . . . 25.0 111.635 -176.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -125.64 145.3 50.22 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -116.18 103.13 10.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 104.044 -2.576 . . . . 25.0 104.044 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -88.05 142.52 27.71 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 110.942 -2.844 . . . . 25.0 108.769 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.91 125.34 41.39 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -157.88 166.73 31.9 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -116.86 153.29 32.78 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 102.469 -3.16 . . . . 25.0 102.469 174.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.04 3.87 2.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.49 -33.42 75.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.491 0.663 . . . . 25.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.2 p -135.82 138.47 42.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.33 -72.44 0.52 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.033 -1.44 . . . . 25.0 110.01 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.08 59.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.3 mp0 -80.18 -22.21 42.18 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.163 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.11 81.5 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 108.458 -1.857 . . . . 25.0 108.458 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 119.82 10.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.697 1.237 . . . . 25.0 109.616 -174.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -179.85 5.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.299 -2.228 . . . . 25.0 111.406 -164.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -99.42 157.17 16.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.507 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -145.4 130.48 18.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.929 0.491 . . . . 25.0 109.893 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.22 165.94 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.3 t -146.74 148.24 31.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.46 131.14 39.55 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -81.26 110.08 16.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 153.17 -178.47 30.21 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 106.584 -2.606 . . . . 25.0 106.584 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -122.75 32.31 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 16.83 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.59 64.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.4 -6.71 57.42 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.317 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.87 3.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.32 124.72 29.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.2 p -162.24 165.75 26.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.25 68.68 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.121 0.486 . . . . 25.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.51 -31.83 67.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.04 -0.413 . . . . 25.0 110.045 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.52 -42.43 43.23 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.076 -0.39 . . . . 25.0 111.801 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.8 mt -129.03 123.28 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.9 tp -93.59 131.62 38.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -140.06 168.71 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.75 31.46 3.34 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.315 0.579 . . . . 25.0 111.155 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.233 0.242 0 N-CA-C 114.323 0.855 . . . . 25.0 114.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -82.03 129.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -84.3 112.3 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 123.191 1.472 . . . . 25.0 109.318 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.39 -137.18 2.16 Favored Glycine 0 C--N 1.312 -0.773 0 CA-C-N 112.735 -2.029 . . . . 25.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -125.48 164.03 21.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.235 -0.568 . . . . 25.0 110.255 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -86.7 3.51 44.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.464 0.65 . . . . 25.0 109.933 173.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -82.49 177.6 8.65 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -67.62 111.31 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -88.68 131.78 34.86 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -119.58 95.19 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 102.537 -3.134 . . . . 25.0 102.537 166.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.92 153.64 45.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -131.74 149.94 52.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.859 0.838 . . . . 25.0 111.847 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.8 -41.57 1.69 Allowed Glycine 0 CA--C 1.496 -1.102 0 CA-C-N 113.973 -1.467 . . . . 25.0 111.136 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 p 44.92 -141.16 0.28 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 113.858 -1.171 . . . . 25.0 110.864 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.16 -13.23 11.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.837 2.162 . . . . 25.0 116.837 -171.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 136.6 58.12 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.67 42.49 3.13 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.94 148.0 30.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 105.682 -1.969 . . . . 25.0 105.682 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -139.79 154.19 47.32 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 115.852 1.797 . . . . 75.0 115.852 -173.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.51 139.36 17.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 113.848 -1.524 . . . . 25.0 113.071 -165.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.3 t -111.66 150.5 30.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.24 69.15 0.09 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 119.548 -1.311 . . . . 25.0 114.491 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.71 0.03 OUTLIER Glycine 0 C--O 1.236 0.23 0 N-CA-C 119.797 2.679 . . . . 25.0 119.797 -168.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.78 -176.21 11.86 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 122.643 1.135 . . . . 25.0 114.196 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.0 169.25 4.81 Favored Glycine 0 C--N 1.311 -0.816 0 N-CA-C 117.177 1.631 . . . . 25.0 117.177 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.93 82.48 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.4 152.38 28.89 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -130.48 105.3 7.77 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.61 122.06 33.97 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 105.197 -2.149 . . . . 25.0 105.197 -170.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -112.77 135.98 52.9 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.5 -10.85 2.56 Favored Glycine 0 C--O 1.205 -1.69 0 N-CA-C 115.554 0.982 . . . . 25.0 115.554 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 20.41 -98.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 118.734 2.864 . . . . 25.0 118.734 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.65 164.69 54.7 Favored Glycine 0 C--O 1.247 0.944 0 O-C-N 120.782 -1.199 . . . . 25.0 115.965 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.28 168.59 33.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-O 121.782 0.657 . . . . 25.0 111.465 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.7 133.68 16.08 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 107.504 -2.238 . . . . 25.0 107.504 171.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -127.86 155.71 43.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.417 0.609 . . . . 50.0 110.165 -170.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.4 tt -143.65 98.41 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -124.07 145.01 49.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.501 -166.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.86 147.91 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 171.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.05 -27.22 7.48 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 115.693 1.037 . . . . 25.0 115.693 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.95 -157.99 45.42 Favored Glycine 0 N--CA 1.423 -2.172 0 CA-C-O 125.073 2.485 . . . . 25.0 111.606 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.85 148.03 31.53 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.752 -3.224 . . . . 25.0 111.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.11 -171.06 28.02 Favored Glycine 0 C--N 1.312 -0.787 0 CA-C-N 113.754 -1.566 . . . . 25.0 113.906 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -104.2 107.6 18.59 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -114.14 158.09 21.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -122.84 110.32 15.29 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -121.78 103.12 8.64 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 111.658 0.244 . . . . 25.0 111.658 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.05 144.3 27.7 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.137 -0.977 . . . . 25.0 110.901 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.0 -14.15 1.13 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 116.393 1.317 . . . . 25.0 116.393 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.48 -127.94 5.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 125.514 2.73 . . . . 25.0 118.266 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.12 144.01 41.83 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 109.166 -3.517 . . . . 25.0 111.61 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.62 162.4 38.2 Favored Glycine 0 C--O 1.245 0.796 0 N-CA-C 115.699 1.04 . . . . 25.0 115.699 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.46 67.88 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.63 154.09 41.43 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.983 -1.462 . . . . 50.0 109.422 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 m -114.42 96.6 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.718 0.77 . . . . 25.0 109.301 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.207 -2.146 . . . . 25.0 105.207 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -111.87 138.33 48.62 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.4 0.619 . . . . 25.0 111.008 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.07 95.54 4.65 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.246 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.5 4.16 40.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 166.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.38 94.81 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.081 -1.418 . . . . 25.0 110.46 -175.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -86.85 -73.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.255 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -69.31 -20.19 63.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.65 1.214 . . . . 25.0 108.205 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -74.99 -9.03 58.15 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 t -131.85 38.0 3.58 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.064 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.04 164.32 11.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -143.13 153.24 42.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.309 1.226 . . . . 25.0 114.309 -177.223 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.1 p -150.43 168.65 23.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.95 65.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.53 -5.45 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 25.0 112.03 178.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.93 148.43 4.74 Favored Glycine 0 C--N 1.315 -0.606 0 CA-C-N 115.115 -0.948 . . . . 25.0 113.893 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.89 141.11 48.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -125.43 91.96 3.52 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 103.7 -2.704 . . . . 25.0 103.7 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.5 p -123.74 -162.07 1.03 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.746 -0.661 . . . . 25.0 110.475 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.18 116.36 9.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.57 104.61 16.66 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -82.76 124.9 39.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -101.42 165.73 11.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 22.18 79.25 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.869 2.174 . . . . 25.0 116.869 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.94 40.28 1.51 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 113.644 -1.616 . . . . 25.0 114.524 -171.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -137.89 69.9 50.43 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 117.414 2.375 . . . . 25.0 117.414 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -87.79 21.03 1.08 Allowed 'Trans proline' 0 CA--C 1.541 0.839 0 N-CA-C 109.994 -0.81 . . . . 25.0 109.994 163.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 58.96 5.72 0.55 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.868 1.667 . . . . 25.0 114.582 -170.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -144.27 52.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.74 154.4 21.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -111.31 129.73 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.105 0.955 . . . . 25.0 112.779 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.02 125.76 44.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -108.03 117.08 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.066 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.44 12.86 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -70.19 -22.51 62.94 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.907 -0.495 . . . . 25.0 110.863 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.79 63.37 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.639 0.257 . . . . 25.0 111.096 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.9 mt -93.02 -10.37 36.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.1 -49.4 4.23 Favored Glycine 0 C--O 1.237 0.282 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.9 t80 68.61 168.65 0.28 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.262 1.425 . . . . 25.0 109.119 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -119.72 -31.54 4.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -174.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.75 -179.82 17.09 Favored Glycine 0 CA--C 1.51 -0.276 0 N-CA-C 108.867 -1.693 . . . . 25.0 108.867 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tp -122.87 44.62 2.6 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.066 0.933 . . . . 25.0 111.901 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.33 4.72 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 115.508 -0.769 . . . . 25.0 114.213 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.04 28.38 16.21 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.518 1.673 . . . . 25.0 115.518 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.82 6.5 85.22 Favored Glycine 0 C--N 1.326 -0.023 0 N-CA-C 117.731 1.852 . . . . 25.0 117.731 168.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -123.21 168.92 11.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 117.799 0.8 . . . . 25.0 109.684 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.81 37.8 27.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.813 0.845 . . . . 25.0 109.648 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.95 -10.2 27.48 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.251 0.861 . . . . 25.0 115.251 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.1 p -76.93 171.51 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.695 0.748 . . . . 25.0 110.535 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -104.38 170.75 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.09 152.53 48.58 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.37 146.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -144.77 149.99 36.45 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.82 132.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.73 122.3 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.49 -29.48 52.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.114 0.483 . . . . 25.0 111.172 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.03 -26.59 65.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 25.0 109.923 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.53 52.64 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.93 34.14 13.05 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.206 1.003 . . . . 25.0 111.287 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.508 -174.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -128.17 108.7 10.84 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 103.815 -2.661 . . . . 25.0 103.815 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -93.39 145.04 24.77 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.62 -2.536 . . . . 25.0 108.993 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.73 128.18 40.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -157.94 167.68 29.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.44 150.35 37.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.31 5.96 2.53 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.85 -33.75 76.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.584 0.707 . . . . 25.0 111.062 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -135.0 137.08 42.66 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 105.742 -1.947 . . . . 25.0 105.742 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.93 -65.57 1.05 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.491 -1.231 . . . . 25.0 111.639 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.69 -29.41 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.514 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.5 mp0 -76.04 -24.57 55.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.185 -1.37 . . . . 25.0 110.563 -175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.63 79.43 0.12 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 105.895 -2.882 . . . . 25.0 105.895 -176.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.7 6.16 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.97 1.367 . . . . 25.0 109.584 -174.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.68 -179.87 5.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 111.649 -2.523 . . . . 25.0 109.726 -164.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.88 156.21 17.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -144.72 133.08 21.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.046 0.538 . . . . 25.0 109.791 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.73 164.13 26.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 106.598 -1.631 . . . . 25.0 106.598 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.38 146.48 32.55 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.98 131.63 39.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -79.62 114.08 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.54 179.36 21.75 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 106.783 -2.527 . . . . 25.0 106.783 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.35 32.18 6.13 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 18.12 0.07 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 122.112 0.958 . . . . 25.0 113.504 -174.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.11 69.51 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 170.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.31 55.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.203 -0.908 . . . . 25.0 109.645 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.69 42.07 3.38 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.035 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.0 124.91 32.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.438 -1.69 . . . . 25.0 106.438 175.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.0 p -161.79 167.58 24.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.13 -29.34 67.37 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.062 0.458 . . . . 25.0 110.934 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -72.41 -29.89 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.917 -0.489 . . . . 25.0 110.251 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -80.2 -44.45 19.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.87 -0.519 . . . . 25.0 111.903 173.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.78 127.02 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.6 tp -100.45 128.03 46.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.04 167.79 21.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.124 -1.436 . . . . 25.0 107.124 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.4 31.29 3.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.334 0.588 . . . . 25.0 111.357 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 51.1 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 N-CA-C 115.48 1.3 . . . . 25.0 115.48 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 131.36 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.04 113.62 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 123.125 1.441 . . . . 25.0 108.395 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.04 -135.85 1.77 Allowed Glycine 0 C--N 1.315 -0.625 0 CA-C-N 112.776 -2.011 . . . . 25.0 110.174 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -128.85 170.26 13.6 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.094 -0.651 . . . . 25.0 110.374 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -87.52 3.06 48.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.575 0.702 . . . . 25.0 109.119 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 tp -79.58 174.41 11.61 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -70.09 100.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -87.38 118.88 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.23 94.96 5.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 165.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.93 153.94 51.88 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -129.97 150.67 51.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.703 0.764 . . . . 25.0 111.814 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.94 -37.41 2.54 Favored Glycine 0 C--N 1.321 -0.277 0 CA-C-N 113.851 -1.522 . . . . 25.0 112.109 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.1 p 46.38 -145.57 0.21 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 113.442 -1.379 . . . . 25.0 110.881 -174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.64 -6.94 3.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.21 2.3 . . . . 25.0 117.21 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 138.42 58.31 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.61 43.73 3.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -147.84 147.4 29.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.769 -1.567 . . . . 25.0 106.769 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HB2' ' H ' ' A' ' 44' ' ' LEU . 2.6 tp10 -140.98 154.35 46.0 Favored 'General case' 0 C--O 1.176 -2.806 0 N-CA-C 117.623 2.453 . . . . 75.0 117.623 -172.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.48 141.35 14.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 113.65 -1.614 . . . . 25.0 111.569 -165.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -113.98 150.01 34.48 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.124 2.17 . . . . 25.0 105.478 171.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 73.11 0.07 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 119.866 -1.159 . . . . 25.0 115.826 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.99 -77.55 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 N-CA-C 120.013 2.765 . . . . 25.0 120.013 -168.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.76 -175.67 10.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 122.554 1.086 . . . . 25.0 114.332 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.18 168.2 5.59 Favored Glycine 0 C--N 1.312 -0.75 0 N-CA-C 116.485 1.354 . . . . 25.0 116.485 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 82.35 3.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -79.08 153.37 30.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -130.69 104.63 7.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 104.822 -2.288 . . . . 25.0 104.822 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.12 116.14 21.59 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -171.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.08 136.11 49.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.22 -0.71 5.85 Favored Glycine 0 C--O 1.215 -1.05 0 CA-C-O 118.401 -1.222 . . . . 25.0 115.465 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 18.7 -101.32 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.49 168.09 54.69 Favored Glycine 0 C--O 1.274 2.596 0 N-CA-C 115.236 0.854 . . . . 25.0 115.236 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.2 164.78 34.93 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 120.111 -1.042 . . . . 25.0 111.085 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.2 134.8 14.81 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 105.67 -2.972 . . . . 25.0 105.67 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -125.58 157.34 37.38 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 -168.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 1.8 tt -144.63 97.89 3.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.49 145.23 50.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.057 -164.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -138.99 147.74 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.95 9.26 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 116.388 1.315 . . . . 25.0 116.388 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.82 -156.31 43.85 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.115 2.508 . . . . 25.0 112.121 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.12 148.37 40.81 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 109.802 -3.199 . . . . 25.0 111.713 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.56 -172.33 27.34 Favored Glycine 0 C--N 1.312 -0.789 0 CA-C-N 113.728 -1.578 . . . . 25.0 115.185 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -100.19 105.92 17.56 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -114.52 155.26 26.77 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -169.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -121.48 109.72 15.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.195 -1.409 . . . . 25.0 107.195 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.5 mt -120.99 112.68 19.04 Favored 'General case' 0 C--O 1.209 -1.053 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.77 141.02 47.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.063 0.847 . . . . 25.0 110.72 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.47 -10.86 2.29 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 116.932 1.533 . . . . 25.0 116.932 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.76 -125.97 7.98 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-O 125.4 2.667 . . . . 25.0 117.301 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.25 146.18 51.61 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 109.582 -3.309 . . . . 25.0 110.769 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.48 161.09 36.86 Favored Glycine 0 C--O 1.244 0.766 0 N-CA-C 115.14 0.816 . . . . 25.0 115.14 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.9 68.63 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.89 -1.522 . . . . 25.0 106.89 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -66.13 153.09 43.29 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.165 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 m -113.37 96.0 5.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.663 0.744 . . . . 25.0 109.06 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -86.99 126.34 34.67 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -109.2 138.57 45.34 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.551 0.691 . . . . 25.0 110.207 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -121.22 98.0 5.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.75 2.21 32.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.418 -2.438 . . . . 25.0 104.418 165.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.19 89.78 7.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.403 -176.493 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -86.8 -72.39 0.51 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.866 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -70.93 -18.1 62.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.54 1.162 . . . . 25.0 107.964 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.29 -7.98 55.4 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-N 114.568 -1.196 . . . . 25.0 112.049 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -130.81 35.92 3.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.17 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.86 165.96 10.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -137.14 155.68 49.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -178.703 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.3 p -150.86 168.17 25.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.32 66.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -6.08 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.707 0.765 . . . . 25.0 112.285 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.18 151.91 5.53 Favored Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.438 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.1 p -118.88 143.26 47.08 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.852 0.358 . . . . 25.0 110.346 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.5 92.19 3.56 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -120.81 175.79 5.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.708 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.31 113.5 19.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.03 105.57 17.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.77 121.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.4 mt -101.89 160.65 14.3 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.322 -0.236 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 32.81 78.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.116 1.436 . . . . 25.0 114.461 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.36 39.33 0.9 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.65 -1.614 . . . . 25.0 115.171 -170.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -138.94 70.43 42.48 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 117.437 2.384 . . . . 25.0 117.437 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.21 20.89 1.08 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.169 -0.743 . . . . 25.0 110.169 164.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.68 7.03 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.663 1.585 . . . . 25.0 114.509 -170.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -145.15 54.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.8 154.27 24.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.453 -2.055 . . . . 50.0 105.453 174.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 131.6 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 122.226 1.012 . . . . 25.0 113.116 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.0 tp -123.62 133.0 54.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 106.015 -1.846 . . . . 25.0 106.015 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -119.15 111.84 18.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.756 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.38 13.57 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -28.33 68.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.029 -0.42 . . . . 25.0 110.941 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.6 62.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.5 mt -87.62 -16.11 35.39 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.07 -52.01 4.48 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 108.306 -1.918 . . . . 25.0 108.306 -168.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.4 t80 65.87 170.7 0.22 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.037 1.335 . . . . 25.0 109.549 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -120.77 -32.91 3.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 113.635 0.976 . . . . 25.0 113.635 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.28 179.02 16.12 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.16 39.55 3.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.02 0.914 . . . . 25.0 111.589 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.53 56.16 4.45 Favored Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.296 -0.865 . . . . 25.0 115.151 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 58.93 27.5 16.33 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.893 1.812 . . . . 25.0 115.893 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.94 7.4 83.91 Favored Glycine 0 N--CA 1.458 0.114 0 N-CA-C 117.841 1.896 . . . . 25.0 117.841 167.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -124.2 168.38 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.805 0.803 . . . . 25.0 109.701 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.77 38.01 27.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.803 0.841 . . . . 25.0 109.649 -174.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.91 -11.4 21.45 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 115.259 0.864 . . . . 25.0 115.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 p -76.59 171.57 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.793 0.796 . . . . 25.0 110.359 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -104.29 169.35 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 152.89 41.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.14 144.01 24.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 t -146.87 153.29 39.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.12 133.84 60.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.96 122.45 40.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -79.01 -26.52 43.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.049 0.452 . . . . 25.0 111.162 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.75 -26.55 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.444 0.64 . . . . 25.0 109.548 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -8.68 54.3 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.58 30.57 8.74 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 25.0 111.846 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -131.32 152.06 50.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -120.89 105.16 10.43 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.37 143.4 26.86 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 111.329 -2.669 . . . . 25.0 109.376 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -130.64 126.79 37.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.55 168.34 27.57 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.3 t -118.64 152.33 36.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 102.646 -3.094 . . . . 25.0 102.646 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.1 3.19 2.62 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.61 -34.03 76.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.536 0.684 . . . . 25.0 111.209 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.1 p -135.59 138.12 42.64 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -123.03 -66.21 1.04 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.182 -1.372 . . . . 25.0 111.556 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.75 -29.31 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.2 mp0 -75.35 -24.6 57.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.276 -175.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.86 78.86 0.13 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 106.46 -2.656 . . . . 25.0 106.46 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.03 5.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 123.138 1.447 . . . . 25.0 109.496 -175.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 166.0 12.23 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 111.617 -2.538 . . . . 25.0 110.38 -163.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -85.64 154.31 21.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.45 129.68 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.24 166.56 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 149.01 32.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.25 132.44 39.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.06 115.02 19.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.49 179.62 19.49 Favored Glycine 0 N--CA 1.437 -1.241 0 N-CA-C 106.785 -2.526 . . . . 25.0 106.785 -175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.02 31.39 6.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 16.56 0.07 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -29.87 64.82 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.0 -7.13 56.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.417 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.56 3.49 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.68 122.95 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -160.57 164.82 31.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.35 69.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.076 0.465 . . . . 25.0 110.851 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.97 -32.03 66.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.073 -0.392 . . . . 25.0 110.067 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.51 -42.53 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.099 0.409 . . . . 25.0 111.847 174.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.27 124.79 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.8 tp -95.27 132.44 40.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -140.36 168.69 19.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.29 31.28 3.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.344 0.592 . . . . 25.0 111.281 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--O 1.234 0.309 0 N-CA-C 114.537 0.937 . . . . 25.0 114.537 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.82 133.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.49 116.32 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.71 -139.38 3.33 Favored Glycine 0 C--N 1.313 -0.723 0 CA-C-N 112.88 -1.964 . . . . 25.0 110.869 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -118.34 166.22 12.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.141 0.496 . . . . 25.0 110.836 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -87.24 3.35 46.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.488 0.661 . . . . 25.0 109.573 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -82.67 176.89 9.0 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.537 -1.282 . . . . 25.0 107.537 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.01 111.66 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -93.7 125.02 38.09 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.34 95.1 4.91 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 104.574 -2.38 . . . . 25.0 104.574 165.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -137.82 153.44 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -128.28 149.34 50.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.916 0.865 . . . . 25.0 112.209 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.23 -39.74 2.21 Favored Glycine 0 CA--C 1.496 -1.155 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.573 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p 45.64 -144.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.822 -1.189 . . . . 25.0 111.088 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.56 -10.32 7.8 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.788 2.144 . . . . 25.0 116.788 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 138.13 58.02 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 44.52 3.35 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -150.37 157.88 43.54 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 104.397 -2.446 . . . . 25.0 104.397 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.8 tp10 -140.83 -179.37 6.02 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 123.22 0.325 . . . . 50.0 111.269 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.0 mp -121.08 137.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.926 -168.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -116.17 149.86 38.38 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.03 77.43 0.1 OUTLIER Glycine 0 N--CA 1.464 0.512 0 C-N-CA 119.758 -1.211 . . . . 25.0 113.256 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.3 -77.92 0.02 OUTLIER Glycine 0 C--O 1.238 0.345 0 N-CA-C 119.495 2.558 . . . . 25.0 119.495 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.51 -176.07 11.04 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-O 122.8 1.222 . . . . 25.0 113.733 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.42 165.89 4.71 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 116.934 1.534 . . . . 25.0 116.934 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.9 81.87 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -78.88 152.12 31.39 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.886 1.069 . . . . 50.0 113.886 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -128.96 104.06 7.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.004 -2.221 . . . . 25.0 105.004 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.84 118.33 25.27 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.36 136.19 48.42 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.95 -1.871 . . . . 25.0 105.95 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.59 -6.38 2.65 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 119.036 -0.869 . . . . 25.0 115.248 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 18.33 -95.84 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 118.279 2.696 . . . . 25.0 118.279 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.57 166.46 54.18 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-O 122.512 1.062 . . . . 25.0 115.508 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.65 167.41 34.58 Favored Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 110.764 -0.934 . . . . 25.0 110.764 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.74 133.87 13.71 Favored Glycine 0 C--N 1.313 -0.706 0 N-CA-C 106.962 -2.455 . . . . 25.0 106.962 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.86 154.84 43.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 117.208 0.504 . . . . 50.0 111.1 -170.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.51 101.61 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -125.55 130.16 51.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -168.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.28 121.97 44.53 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 170.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.66 -21.31 54.07 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 115.791 1.076 . . . . 25.0 115.791 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.506 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.94 -160.25 42.35 Favored Glycine 0 N--CA 1.424 -2.114 0 CA-C-O 125.203 2.557 . . . . 25.0 113.124 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 149.11 30.61 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.682 -3.259 . . . . 25.0 111.944 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -174.03 30.51 Favored Glycine 0 C--N 1.313 -0.731 0 CA-C-N 113.456 -1.702 . . . . 25.0 114.97 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.21 107.18 19.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.64 154.94 25.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.885 -1.052 . . . . 50.0 113.287 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -120.27 108.62 14.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -119.27 109.26 15.61 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.573 -0.251 . . . . 25.0 110.668 -172.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.43 37.9 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.953 0.797 . . . . 25.0 110.381 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.35 -4.94 2.14 Favored Glycine 0 N--CA 1.464 0.559 0 N-CA-C 117.749 1.86 . . . . 25.0 117.749 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 35.9 -125.38 0.81 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 125.196 2.553 . . . . 25.0 118.934 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.08 145.41 46.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 109.851 -3.175 . . . . 25.0 111.575 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.4 161.18 36.4 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 115.518 0.967 . . . . 25.0 115.518 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.66 67.16 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -68.92 153.79 43.17 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.042 -1.436 . . . . 50.0 109.655 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 m -113.01 96.42 5.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.968 0.89 . . . . 25.0 108.753 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -87.42 124.63 33.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 102.411 -3.181 . . . . 25.0 102.411 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -122.98 146.15 47.87 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.81 0.814 . . . . 25.0 111.38 -164.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -123.37 101.76 7.53 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.54 -1.209 . . . . 25.0 111.681 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.65 1.16 37.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.257 -2.498 . . . . 25.0 104.257 161.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.49 90.78 8.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.214 -1.357 . . . . 25.0 110.878 -175.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttt-85 -86.86 -72.74 0.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.904 -1.044 . . . . 25.0 113.278 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.54 1.162 . . . . 25.0 108.16 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -73.85 -8.36 55.77 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 114.363 -1.289 . . . . 25.0 111.704 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -132.0 38.52 3.51 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.421 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 18.4 pt20 -102.0 164.91 11.46 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.23 156.59 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -150.77 170.71 18.57 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.38 -24.13 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -6.16 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.524 0.678 . . . . 25.0 112.557 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.25 153.35 5.89 Favored Glycine 0 C--N 1.316 -0.573 0 CA-C-N 115.279 -0.873 . . . . 25.0 114.194 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.6 140.54 49.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 122.365 -0.491 . . . . 25.0 111.045 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -123.62 91.94 3.58 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.871 -2.64 . . . . 25.0 103.871 175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 p -124.26 177.64 5.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.661 -0.699 . . . . 25.0 110.122 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.02 110.68 18.55 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -90.3 105.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.73 120.33 38.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -101.74 159.55 15.23 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.396 0.278 . . . . 25.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.32 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.86 40.63 0.74 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.639 1.718 . . . . 25.0 115.639 -169.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -140.16 72.07 33.35 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 117.98 2.585 . . . . 25.0 117.98 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -87.63 22.02 0.96 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 N-CA-C 110.405 -0.652 . . . . 25.0 110.405 164.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.36 4.98 0.54 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.803 1.641 . . . . 25.0 114.908 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -138.27 30.69 2.41 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.35 0.66 . . . . 25.0 110.953 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.18 156.57 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 175.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -110.99 128.65 55.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.114 0.959 . . . . 25.0 112.882 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.25 126.93 54.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 105.846 -1.909 . . . . 25.0 105.846 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -116.81 115.75 26.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.34 16.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.198 -0.668 . . . . 25.0 109.198 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -65.74 -31.05 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.064 -0.397 . . . . 25.0 111.974 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.59 -14.08 38.45 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -51.97 4.34 Favored Glycine 0 N--CA 1.454 -0.156 0 N-CA-C 108.54 -1.824 . . . . 25.0 108.54 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 65.67 173.72 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.813 1.245 . . . . 25.0 109.686 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -126.18 -45.56 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 177.07 27.98 Favored Glycine 0 CA--C 1.509 -0.306 0 N-CA-C 106.553 -2.619 . . . . 25.0 106.553 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -127.19 24.36 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.539 1.17 . . . . 25.0 108.824 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.46 66.69 1.95 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.482 1.353 . . . . 25.0 116.482 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 61.66 21.04 11.84 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 25.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.89 71.73 Favored Glycine 0 C--O 1.228 -0.271 0 N-CA-C 118.101 2.0 . . . . 25.0 118.101 166.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -125.63 166.78 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.097 0.948 . . . . 25.0 109.67 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.06 38.87 30.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.622 0.769 . . . . 25.0 110.417 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.73 -10.21 47.15 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -75.58 171.23 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.076 0.938 . . . . 25.0 110.023 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.96 170.82 7.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.267 -1.753 . . . . 25.0 106.267 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.44 152.5 40.19 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 p -115.51 139.93 39.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -146.25 152.82 39.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.608 -1.997 . . . . 25.0 105.608 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.62 134.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.66 122.09 39.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -80.68 -22.98 39.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.97 0.414 . . . . 25.0 111.334 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.9 -26.96 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.8 -8.43 54.29 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.51 30.06 7.92 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.381 1.072 . . . . 25.0 111.913 -176.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -130.28 148.72 52.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.18 0.808 . . . . 25.0 113.18 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -116.96 104.03 10.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 103.634 -2.728 . . . . 25.0 103.634 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -88.29 142.26 27.89 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.979 -2.828 . . . . 25.0 109.026 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -126.82 122.97 36.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -157.75 163.82 37.72 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.6 t -113.52 152.59 30.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.864 -3.013 . . . . 25.0 102.864 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.48 3.83 2.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.139 -0.937 . . . . 25.0 112.915 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.71 -33.07 74.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.617 0.723 . . . . 25.0 110.491 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.9 p -136.85 137.66 39.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 106.393 -1.706 . . . . 25.0 106.393 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.32 -71.33 0.65 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.435 -1.257 . . . . 25.0 110.342 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.77 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.4 mp0 -78.36 -22.14 48.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.957 -175.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -171.34 82.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 106.743 -2.543 . . . . 25.0 106.743 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 117.73 7.52 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 123.281 1.515 . . . . 25.0 109.72 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.24 166.06 12.8 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 111.611 -2.541 . . . . 25.0 110.208 -164.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 37.0 m-85 -91.79 154.62 18.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.791 -0.641 . . . . 25.0 110.986 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -144.26 132.49 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.839 0.455 . . . . 25.0 110.294 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.64 166.07 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 173.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.1 t -147.77 147.02 29.42 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -130.47 131.59 45.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -78.72 110.29 13.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.75 -177.47 25.99 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 106.588 -2.605 . . . . 25.0 106.588 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -123.04 30.34 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 13.0 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -174.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.02 64.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.307 -1.738 . . . . 25.0 106.307 171.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.78 60.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.191 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.69 37.95 3.09 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.422 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.97 117.85 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 96.1 p -158.94 166.08 32.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.63 68.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.151 0.5 . . . . 25.0 110.597 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.57 -31.43 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.54 -40.31 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 174.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -128.86 123.45 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -98.51 134.2 41.8 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -142.3 169.4 17.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.68 30.54 3.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.411 0.624 . . . . 25.0 111.231 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo . . . . . 0 C--O 1.235 0.332 0 N-CA-C 114.079 0.761 . . . . 25.0 114.079 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.54 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.59 116.02 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.62 -138.96 3.16 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 112.966 -1.924 . . . . 25.0 110.71 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.147 0.499 . . . . 25.0 110.707 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -86.9 2.89 47.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 25.0 109.626 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.27 175.84 10.26 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -67.71 111.8 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 173.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -92.61 128.99 38.67 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.582 -1.266 . . . . 50.0 107.582 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 95.27 4.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.1 -2.556 . . . . 25.0 104.1 165.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.41 153.95 47.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -172.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.45 149.14 50.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.93 0.872 . . . . 25.0 112.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.63 -39.7 2.01 Favored Glycine 0 CA--C 1.497 -1.067 0 CA-C-N 113.913 -1.494 . . . . 25.0 111.467 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p 46.54 -146.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.882 -1.159 . . . . 25.0 111.44 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.98 -8.53 5.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.749 2.129 . . . . 25.0 116.749 -170.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.22 137.86 58.04 Favored 'General case' 0 C--O 1.252 1.205 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 46.17 3.62 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 110.299 -1.121 . . . . 25.0 110.299 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -151.42 157.86 42.95 Favored 'General case' 0 C--O 1.253 1.262 0 N-CA-C 104.153 -2.536 . . . . 25.0 104.153 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.95 -179.78 6.27 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.827 0.346 . . . . 50.0 111.595 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.6 mp -121.47 137.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.025 -168.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -115.04 154.64 28.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.143 -1.799 . . . . 25.0 106.143 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.06 75.21 0.08 OUTLIER Glycine 0 C--N 1.319 -0.363 0 C-N-CA 120.057 -1.068 . . . . 25.0 112.511 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.36 -76.13 0.03 OUTLIER Glycine 0 C--O 1.237 0.31 0 N-CA-C 119.428 2.531 . . . . 25.0 119.428 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.69 -176.45 12.03 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-O 122.767 1.204 . . . . 25.0 113.859 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.02 165.03 4.92 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.844 1.497 . . . . 25.0 116.844 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.16 81.52 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.98 151.62 31.49 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -170.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.4 104.31 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.678 -2.341 . . . . 25.0 104.678 171.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.94 121.74 33.98 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 105.127 -2.175 . . . . 25.0 105.127 -171.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -110.5 135.84 50.55 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.49 -6.95 2.25 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 115.572 0.989 . . . . 25.0 115.572 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 20.08 -100.93 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.21 167.81 54.85 Favored Glycine 0 C--O 1.258 1.612 0 N-CA-C 115.848 1.099 . . . . 25.0 115.848 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 166.36 34.68 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.193 -1.004 . . . . 25.0 110.669 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.69 132.56 12.06 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 107.003 -2.439 . . . . 25.0 107.003 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -127.04 154.11 45.09 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 117.015 0.407 . . . . 50.0 111.251 -169.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -138.71 101.54 4.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.21 131.86 53.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -170.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.4 116.38 24.67 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.87 -19.97 60.41 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 -174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.35 -158.73 38.62 Favored Glycine 0 N--CA 1.425 -2.063 0 CA-C-O 125.339 2.633 . . . . 25.0 113.487 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.98 149.22 32.65 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 109.397 -3.401 . . . . 25.0 111.697 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.66 -174.38 29.25 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.566 -1.652 . . . . 25.0 115.002 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -99.12 104.97 17.0 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -111.83 151.6 28.88 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -118.96 109.35 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.5 mt -120.92 102.71 8.53 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 144.49 26.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.218 -0.926 . . . . 25.0 110.366 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.92 -2.17 1.45 Allowed Glycine 0 N--CA 1.46 0.239 0 N-CA-C 117.022 1.569 . . . . 25.0 117.022 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 31.09 -127.07 0.18 Allowed Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 119.9 2.72 . . . . 25.0 119.9 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.81 142.92 44.11 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 109.892 -3.154 . . . . 25.0 111.447 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.6 159.41 32.82 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 174.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 66.78 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.31 154.84 41.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.064 -1.426 . . . . 50.0 109.619 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.1 m -113.74 99.92 8.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.704 0.764 . . . . 25.0 108.98 174.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -92.08 125.82 36.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -127.91 145.04 51.08 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.929 0.871 . . . . 25.0 111.8 -164.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -118.81 102.21 8.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.337 -1.302 . . . . 25.0 112.062 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.51 36.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.221 -2.511 . . . . 25.0 104.221 161.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.71 92.15 9.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.268 -1.333 . . . . 25.0 110.482 -176.253 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -86.46 -71.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 -172.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -72.1 -17.4 61.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -74.32 -9.81 58.97 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.218 -1.356 . . . . 25.0 112.079 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -131.0 35.28 3.96 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.57 165.79 10.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.9 157.48 46.32 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.0 p -150.88 167.34 27.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.106 -2.553 . . . . 25.0 104.106 170.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.31 -24.96 64.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.75 -5.88 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 25.0 111.96 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.25 4.29 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 115.082 -0.963 . . . . 25.0 113.546 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -118.93 142.19 47.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -125.21 92.18 3.58 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 p -119.78 178.16 4.69 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.79 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.3 110.58 15.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.126 -1.064 . . . . 50.0 108.126 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.49 104.6 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.76 125.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.41 165.8 11.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 22.92 79.71 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.608 2.077 . . . . 25.0 116.608 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.75 41.02 1.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.824 -1.535 . . . . 25.0 114.951 -169.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -140.0 71.36 35.0 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 117.946 2.573 . . . . 25.0 117.946 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.24 22.94 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 N-CA-C 110.204 -0.729 . . . . 25.0 110.204 164.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.54 4.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.83 1.652 . . . . 25.0 114.886 -171.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -139.57 32.42 2.06 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.357 0.663 . . . . 25.0 111.131 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.94 156.68 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.803 -1.554 . . . . 50.0 106.803 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -111.1 127.02 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.277 1.037 . . . . 25.0 113.423 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 tp -115.27 126.94 55.11 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.925 -1.879 . . . . 25.0 105.925 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.31 117.43 29.5 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.717 -0.22 . . . . 25.0 110.464 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.3 m -124.38 14.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -66.76 -28.6 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.21 -13.83 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.5 -13.88 39.17 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 174.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.79 -50.09 4.13 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 108.549 -1.821 . . . . 25.0 108.549 -169.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 66.36 171.35 0.24 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.948 1.299 . . . . 25.0 109.188 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 p -120.17 -31.73 4.33 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.77 179.19 16.24 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 108.627 -1.789 . . . . 25.0 108.627 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.89 36.94 4.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.016 0.908 . . . . 25.0 111.193 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.23 3.75 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.216 -0.902 . . . . 25.0 115.215 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 58.99 26.74 15.42 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.46 9.01 84.13 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 117.755 1.862 . . . . 25.0 117.755 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -124.13 168.32 13.06 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.862 0.831 . . . . 25.0 109.74 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.34 27.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.867 0.867 . . . . 25.0 109.611 -174.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.62 -11.87 24.18 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 115.212 0.845 . . . . 25.0 115.212 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 p -75.44 171.75 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.699 0.75 . . . . 25.0 110.362 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.09 170.55 7.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.66 152.91 44.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.76 144.62 20.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -145.7 150.39 36.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.41 132.88 64.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.29 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.82 -25.91 44.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.968 0.413 . . . . 25.0 111.183 -174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.8 -26.25 65.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.562 0.696 . . . . 25.0 109.539 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.0 -9.46 51.99 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.326 -1.11 . . . . 25.0 110.326 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.33 32.02 10.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.168 0.987 . . . . 25.0 111.457 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -131.16 152.68 50.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.9 t -123.66 106.16 10.31 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -91.46 145.5 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 111.278 -2.692 . . . . 25.0 109.457 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.22 126.85 40.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -157.64 167.42 30.16 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 t -115.8 153.95 30.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 102.884 -3.006 . . . . 25.0 102.884 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.3 3.24 2.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.01 -33.12 74.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.65 0.738 . . . . 25.0 110.173 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.4 p -135.51 140.58 44.88 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 104.704 -2.332 . . . . 25.0 104.704 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.57 -74.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.978 -1.01 . . . . 25.0 113.37 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.72 -37.8 12.79 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 122.092 0.948 . . . . 25.0 108.646 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.666 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.01 -30.93 71.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.178 -1.373 . . . . 25.0 110.377 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.48 64.51 0.55 Allowed Glycine 0 CA--C 1.501 -0.821 0 N-CA-C 106.097 -2.801 . . . . 25.0 106.097 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 121.81 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.589 1.185 . . . . 25.0 108.649 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 33.6 p -119.0 165.81 13.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 112.544 -2.116 . . . . 25.0 110.154 -160.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.27 150.87 46.93 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -140.55 127.98 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 171.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.4 164.62 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 106.476 -1.675 . . . . 25.0 106.476 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.39 148.79 33.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tt -134.07 131.12 38.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -79.26 113.57 17.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.31 179.99 21.17 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 106.673 -2.571 . . . . 25.0 106.673 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.08 32.05 6.12 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 14.43 0.08 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.427 1.269 . . . . 25.0 114.427 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.88 -29.19 62.98 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 170.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.88 -8.97 58.18 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.195 174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.34 39.38 3.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.154 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.3 mt -74.1 119.53 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -160.61 164.88 31.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.38 -30.44 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 25.0 110.617 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.85 -31.6 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.104 -0.373 . . . . 25.0 110.255 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.85 -40.52 39.98 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.2 mt -129.34 126.04 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.9 tp -99.37 131.98 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -141.95 168.79 18.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.65 31.7 3.07 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.298 0.571 . . . . 25.0 111.118 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.462 -0.325 0 N-CA-C 113.301 0.462 . . . . 25.0 113.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.22 125.54 39.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.18 112.31 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-O 123.081 1.42 . . . . 25.0 108.583 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.79 -136.96 2.7 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 112.943 -1.935 . . . . 25.0 110.169 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -129.9 170.65 13.66 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.244 -0.562 . . . . 25.0 110.528 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -87.26 2.55 49.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.543 0.687 . . . . 25.0 109.404 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.01 174.36 11.67 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.47 110.52 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.32 124.29 38.25 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -114.62 95.07 5.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.111 -2.181 . . . . 25.0 105.111 166.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -136.8 153.95 50.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 -173.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -127.86 148.24 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.237 1.017 . . . . 25.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 -41.37 2.16 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.176 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.1 p 45.2 -144.67 0.17 Allowed 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.166 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.18 -10.47 4.52 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 117.23 2.307 . . . . 25.0 117.23 -170.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 140.25 58.14 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.69 44.96 3.42 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 108.9 -1.68 . . . . 25.0 108.9 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -150.08 151.06 32.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.896 -2.261 . . . . 25.0 104.896 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.294 3.2 tp10 -141.14 157.32 45.44 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.871 1.804 . . . . 75.0 115.871 -171.136 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -99.65 139.9 20.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-N 114.914 -1.039 . . . . 25.0 111.504 -165.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -115.3 148.49 39.15 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.76 72.77 0.08 OUTLIER Glycine 0 N--CA 1.465 0.579 0 C-N-CA 120.061 -1.066 . . . . 25.0 113.097 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.47 -76.92 0.02 OUTLIER Glycine 0 C--O 1.237 0.3 0 N-CA-C 119.309 2.484 . . . . 25.0 119.309 -168.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.4 11.02 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-O 122.826 1.236 . . . . 25.0 114.062 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 164.63 4.77 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 81.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -78.68 151.87 31.95 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -170.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.6 104.47 7.68 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.54 121.34 33.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.242 -2.133 . . . . 25.0 105.242 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -109.48 136.08 49.46 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.79 -1.929 . . . . 25.0 105.79 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 -7.34 2.43 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.606 1.002 . . . . 25.0 115.606 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 18.36 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 119.015 2.968 . . . . 25.0 119.015 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.75 167.66 54.79 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.141 -1.028 . . . . 25.0 115.314 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.63 167.35 34.43 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 117.695 0.748 . . . . 25.0 112.174 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.42 130.52 9.82 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -124.33 152.69 42.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.673 0.736 . . . . 50.0 110.55 -168.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.0 mt -138.4 97.91 3.48 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.51 133.04 54.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -170.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 115.45 18.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 172.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.85 -17.79 69.35 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 117.036 1.574 . . . . 25.0 117.036 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.6 -158.18 43.95 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.164 2.535 . . . . 25.0 112.773 -178.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 149.34 35.77 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 109.731 -3.234 . . . . 25.0 111.787 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.82 -174.37 29.04 Favored Glycine 0 C--N 1.312 -0.759 0 CA-C-N 113.618 -1.628 . . . . 25.0 115.344 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -97.71 103.98 15.96 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -111.36 150.43 29.75 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -170.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -117.76 109.32 16.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.5 mt -120.68 102.16 8.21 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.35 142.94 27.88 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.238 -0.914 . . . . 25.0 110.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.78 -9.95 1.45 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 116.674 1.43 . . . . 25.0 116.674 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.36 -128.03 2.25 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-O 125.466 2.703 . . . . 25.0 119.017 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -56.55 143.1 36.81 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.383 -3.408 . . . . 25.0 111.978 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.75 160.93 37.0 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 115.639 1.016 . . . . 25.0 115.639 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.12 66.24 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.448 1.099 . . . . 25.0 108.334 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -67.13 154.29 41.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.015 -1.448 . . . . 50.0 109.611 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.1 m -112.58 98.67 7.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -92.73 123.07 35.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 102.55 -3.13 . . . . 25.0 102.55 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -126.37 144.96 50.64 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-O 121.983 0.896 . . . . 25.0 111.895 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.91 103.59 9.18 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.233 -1.349 . . . . 25.0 111.764 -172.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.3 1.23 35.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.302 -2.481 . . . . 25.0 104.302 161.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.99 90.86 8.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.167 -1.378 . . . . 25.0 110.753 -175.796 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -87.0 -71.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -173.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -71.32 -17.96 62.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.484 1.135 . . . . 25.0 107.95 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -74.35 -8.79 57.46 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.531 -1.213 . . . . 25.0 111.819 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 36.86 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.167 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -102.69 165.1 11.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 152.97 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.183 0.809 . . . . 25.0 113.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.3 p -150.55 171.36 17.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 171.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.85 -24.21 66.11 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.68 54.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 25.0 111.978 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.11 152.88 5.75 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 114.211 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -118.98 139.4 51.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.089 0.471 . . . . 25.0 110.039 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.69 92.57 3.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 103.782 -2.673 . . . . 25.0 103.782 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 p -121.07 173.43 7.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 25.0 110.786 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.71 110.63 19.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.04 104.51 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -84.64 126.02 40.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.78 165.61 11.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 22.9 79.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -144.74 39.71 1.26 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.831 -1.531 . . . . 25.0 114.846 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -139.76 71.76 36.14 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 117.806 2.521 . . . . 25.0 117.806 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.95 22.25 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 N-CA-C 110.087 -0.774 . . . . 25.0 110.087 163.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 59.36 6.97 0.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.768 1.627 . . . . 25.0 114.346 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.6 54.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 155.99 21.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 173.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.14 127.46 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.269 1.033 . . . . 25.0 113.371 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 tp -116.71 130.32 56.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 174.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -119.84 118.42 30.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.182 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.28 14.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.7 p -66.1 -30.19 70.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.013 -0.43 . . . . 25.0 111.901 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.45 60.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.5 mt -88.21 -13.97 39.73 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 174.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.53 -50.82 4.4 Favored Glycine 0 CA--C 1.517 0.164 0 N-CA-C 108.254 -1.939 . . . . 25.0 108.254 -168.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.6 t80 65.65 171.81 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.989 1.316 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.3 -31.91 3.99 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.03 178.24 15.6 Favored Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.4 38.17 4.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.191 0.995 . . . . 25.0 111.163 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.7 57.11 4.22 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.196 -0.911 . . . . 25.0 115.007 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 58.19 26.19 13.49 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.559 1.688 . . . . 25.0 115.559 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.26 83.55 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 117.739 1.856 . . . . 25.0 117.739 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -121.36 167.66 12.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.085 0.943 . . . . 25.0 109.771 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 38.43 29.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.834 0.854 . . . . 25.0 109.996 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.09 -10.72 25.73 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.172 0.829 . . . . 25.0 115.172 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 p -75.93 172.67 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.794 0.797 . . . . 25.0 109.979 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.72 168.55 9.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.14 152.99 39.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.082 -1.822 . . . . 25.0 106.082 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.51 144.0 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 106.353 -1.721 . . . . 25.0 106.353 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -144.39 148.57 34.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.73 131.79 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.04 39.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.08 -28.68 54.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.483 . . . . 25.0 111.137 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.17 -26.76 65.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.439 0.638 . . . . 25.0 109.853 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.26 -9.51 53.38 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.661 -0.976 . . . . 25.0 110.661 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.25 32.47 10.85 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.221 1.008 . . . . 25.0 111.517 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -132.39 155.91 47.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.672 -0.694 . . . . 25.0 112.684 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.9 t -127.73 108.8 11.05 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 103.696 -2.705 . . . . 25.0 103.696 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -94.4 145.85 24.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 111.704 -2.498 . . . . 25.0 109.498 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -129.85 125.5 35.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.599 -1.259 . . . . 25.0 107.599 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -157.07 167.89 29.1 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 t -118.3 151.45 37.66 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.8 1.97 2.84 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.339 0.866 . . . . 25.0 113.339 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.48 -33.38 74.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.549 0.69 . . . . 25.0 110.467 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.1 p -134.9 140.33 45.69 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -127.28 -73.67 0.6 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.244 -1.344 . . . . 25.0 110.751 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.75 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 18.3 mp0 -76.36 -25.21 54.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.265 -1.334 . . . . 25.0 110.627 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.83 75.05 0.16 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 109.787 -1.325 . . . . 25.0 109.787 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 128.35 35.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.6 p -122.55 165.73 15.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.258 -164.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 154.06 42.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.103 0.478 . . . . 25.0 111.658 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -141.07 130.85 24.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.62 164.15 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.38 131.22 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -79.13 114.01 17.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.18 179.97 21.05 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 106.892 -2.483 . . . . 25.0 106.892 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -120.67 32.0 6.18 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.717 -0.845 . . . . 25.0 108.717 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 15.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.34 -29.64 64.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.206 -1.775 . . . . 25.0 106.206 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.21 57.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.387 -0.824 . . . . 25.0 109.254 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.43 41.13 3.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.236 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.56 122.13 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.7 p -161.54 165.06 29.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.32 69.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 25.0 110.765 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.83 -32.12 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.069 -0.394 . . . . 25.0 110.169 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.78 -41.28 45.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.488 . . . . 25.0 112.316 174.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 23.7 mt -129.46 125.2 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -97.36 133.19 42.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -140.18 168.86 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.97 31.38 3.28 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.388 0.614 . . . . 25.0 111.176 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo . . . . . 0 C--O 1.236 0.401 0 N-CA-C 114.089 0.765 . . . . 25.0 114.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.03 132.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 106.536 -1.654 . . . . 25.0 106.536 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -89.58 114.92 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-O 122.996 1.379 . . . . 25.0 107.878 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.47 -137.19 2.63 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 113.003 -1.908 . . . . 25.0 110.236 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -129.02 169.95 14.07 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.357 -0.496 . . . . 25.0 110.146 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.78 2.99 46.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.516 0.674 . . . . 25.0 109.425 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.69 174.95 11.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.86 111.07 4.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.83 127.13 39.41 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.97 95.37 4.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 104.675 -2.342 . . . . 25.0 104.675 166.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -136.4 153.77 51.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -126.24 148.11 49.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.976 0.893 . . . . 25.0 112.131 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.16 -37.18 2.01 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 113.954 -1.476 . . . . 25.0 111.411 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p 48.05 -148.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.254 -0.973 . . . . 25.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.04 -9.14 19.67 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.224 1.935 . . . . 25.0 116.224 -170.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 139.56 57.11 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 174.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.54 48.23 4.0 Favored Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.172 -1.171 . . . . 25.0 110.172 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -151.14 150.3 30.49 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.1 tp10 -140.71 -179.32 5.98 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.203 0.816 . . . . 75.0 113.203 -176.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -112.52 140.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.716 0.77 . . . . 25.0 113.035 -167.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -111.9 149.34 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 105.092 -2.188 . . . . 25.0 105.092 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.94 69.12 0.06 OUTLIER Glycine 0 N--CA 1.464 0.523 0 C-N-CA 120.058 -1.068 . . . . 25.0 112.98 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.81 0.03 OUTLIER Glycine 0 C--O 1.239 0.447 0 N-CA-C 119.788 2.675 . . . . 25.0 119.788 -168.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.78 -176.64 10.08 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-O 122.78 1.211 . . . . 25.0 114.358 -174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 165.58 5.27 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 116.844 1.498 . . . . 25.0 116.844 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.12 81.57 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.71 150.88 32.42 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 -170.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.07 104.01 7.54 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 104.423 -2.436 . . . . 25.0 104.423 172.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.1 mt -123.72 117.44 24.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 104.81 -2.293 . . . . 25.0 104.81 -170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -103.16 136.08 43.62 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 104.705 -2.332 . . . . 25.0 104.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.29 -4.6 2.23 Favored Glycine 0 C--O 1.214 -1.111 0 C-N-CA 120.415 -0.898 . . . . 25.0 113.73 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 19.51 -104.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 116.559 2.059 . . . . 25.0 116.559 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.62 171.94 54.08 Favored Glycine 0 C--O 1.244 0.733 0 N-CA-C 116.946 1.539 . . . . 25.0 116.946 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.14 164.33 37.21 Favored Glycine 0 C--O 1.247 0.911 0 CA-C-N 114.113 -1.043 . . . . 25.0 113.859 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.0 131.37 10.61 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 105.094 -3.202 . . . . 25.0 105.094 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.68 158.09 45.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.092 0.946 . . . . 50.0 111.335 -165.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -135.96 97.92 3.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.05 132.31 54.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -171.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.29 116.37 19.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 -17.83 71.69 Favored Glycine 0 C--O 1.228 -0.261 0 N-CA-C 116.136 1.214 . . . . 25.0 116.136 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.24 -156.63 44.79 Favored Glycine 0 N--CA 1.425 -2.081 0 CA-C-O 125.43 2.683 . . . . 25.0 113.329 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 148.12 37.62 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.333 -3.433 . . . . 25.0 111.857 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.41 29.93 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.585 -1.643 . . . . 25.0 115.112 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -98.54 104.86 16.94 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 104.97 -2.233 . . . . 25.0 104.97 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -111.86 154.12 25.62 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -121.62 110.2 15.7 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.6 mt -121.51 108.11 13.24 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -171.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 146.92 26.01 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.223 0.92 . . . . 25.0 111.903 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.01 17.05 0.81 Allowed Glycine 0 C--O 1.245 0.785 0 N-CA-C 117.602 1.801 . . . . 25.0 117.602 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 4.9 -116.92 0.01 OUTLIER Glycine 0 N--CA 1.465 0.586 0 N-CA-C 122.152 3.621 . . . . 25.0 122.152 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.31 145.99 54.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.593 -1.303 . . . . 25.0 109.854 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.77 162.63 26.93 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.758 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.91 73.7 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 153.64 42.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.323 -1.762 . . . . 50.0 108.136 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.3 m -118.16 95.96 5.12 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 169.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -88.92 124.12 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 103.271 -2.863 . . . . 25.0 103.271 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -121.08 140.31 52.14 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.177 -165.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -118.99 101.07 7.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.825 -1.08 . . . . 25.0 110.778 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 1.71 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.231 -2.507 . . . . 25.0 104.231 162.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.6 91.05 8.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.29 -176.682 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -85.48 -71.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -72.1 -16.68 62.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -75.99 -8.75 57.67 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-N 114.233 -1.349 . . . . 25.0 112.279 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.22 33.8 4.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.617 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -102.15 166.23 10.72 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.462 0.912 . . . . 25.0 113.462 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.24 156.83 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.67 167.6 26.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.772 -2.307 . . . . 25.0 104.772 171.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.25 65.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.26 -6.2 50.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.792 0.806 . . . . 25.0 111.976 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.77 148.94 4.85 Favored Glycine 0 C--N 1.316 -0.542 0 CA-C-N 115.001 -0.999 . . . . 25.0 113.375 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -118.95 143.04 47.25 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -125.56 92.41 3.6 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 p -121.79 177.76 5.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.29 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.91 110.76 15.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.22 104.49 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.63 125.86 40.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -101.52 165.51 11.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 22.66 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.588 2.07 . . . . 25.0 116.588 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -144.09 37.29 1.27 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.821 -1.536 . . . . 25.0 114.841 -169.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -137.34 68.94 54.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 117.485 2.402 . . . . 25.0 117.485 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.39 20.9 1.12 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 N-CA-C 110.0 -0.808 . . . . 25.0 110.0 163.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.09 4.52 0.44 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.872 1.669 . . . . 25.0 114.699 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -142.11 51.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.842 0.857 . . . . 25.0 109.116 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.13 154.09 22.22 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 104.466 -2.42 . . . . 50.0 104.466 172.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -111.08 131.6 54.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.085 0.945 . . . . 25.0 112.767 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -119.09 130.93 55.85 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -119.64 117.36 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -123.43 13.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.0 p -66.72 -29.14 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.999 -0.438 . . . . 25.0 111.85 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.08 -13.97 62.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.13 -14.35 38.95 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.93 -50.88 4.23 Favored Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 108.196 -1.962 . . . . 25.0 108.196 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.6 t80 65.48 171.45 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.931 1.292 . . . . 25.0 109.701 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 p -119.94 -31.33 4.5 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.37 -179.88 16.7 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 109.153 -1.579 . . . . 25.0 109.153 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -123.01 41.14 3.54 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.181 0.991 . . . . 25.0 111.489 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.91 55.44 4.52 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-N 115.415 -0.811 . . . . 25.0 114.578 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.52 28.31 16.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.57 7.35 84.61 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 117.873 1.909 . . . . 25.0 117.873 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -124.7 168.67 12.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.767 0.783 . . . . 25.0 109.693 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.04 37.98 26.62 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.886 0.874 . . . . 25.0 109.527 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.11 -12.84 16.89 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 115.269 0.868 . . . . 25.0 115.269 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -74.84 172.3 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.036 -0.685 . . . . 25.0 110.489 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.35 169.41 8.5 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.77 152.84 43.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.49 143.95 21.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.25 129.88 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -120.88 124.31 44.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -75.15 -24.84 58.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.93 -26.71 66.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.557 0.694 . . . . 25.0 109.698 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.51 -9.85 49.2 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.48 -1.048 . . . . 25.0 110.48 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.3 32.13 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.084 0.953 . . . . 25.0 111.239 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -131.61 153.69 49.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.762 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.9 t -123.92 106.02 10.09 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.139 -2.541 . . . . 25.0 104.139 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.26 145.27 24.8 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 111.47 -2.605 . . . . 25.0 109.156 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.97 126.5 37.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -157.66 166.79 31.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 t -115.36 153.15 31.52 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 103.007 -2.96 . . . . 25.0 103.007 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.88 1.05 2.73 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.1 -34.18 77.06 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.522 0.677 . . . . 25.0 110.6 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.2 p -134.46 138.65 44.92 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -177.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.94 -71.58 0.73 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.177 -1.374 . . . . 25.0 112.748 -176.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.03 -34.36 14.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 3.3 mp0 -68.48 -28.84 67.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.078 -1.419 . . . . 25.0 110.45 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.39 70.88 0.3 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.361 -2.296 . . . . 25.0 107.361 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 122.69 17.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.414 1.102 . . . . 25.0 108.462 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.5 p -120.0 166.06 13.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 112.876 -1.965 . . . . 25.0 110.413 -160.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -68.59 151.25 47.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -142.28 128.57 19.92 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 170.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.36 164.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.643 -1.614 . . . . 25.0 106.643 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -145.17 147.19 32.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.0 130.57 39.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.29 113.63 17.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.32 179.49 21.65 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.96 33.41 5.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 17.13 0.06 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.7 -30.09 65.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 170.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.1 57.24 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.332 -0.849 . . . . 25.0 109.477 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.97 41.72 3.42 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.224 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.53 122.32 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.0 p -161.34 165.08 29.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.052 0.453 . . . . 25.0 110.836 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -72.79 -31.31 64.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.006 -0.434 . . . . 25.0 110.191 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.73 -41.62 44.37 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.085 0.402 . . . . 25.0 111.998 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.2 mt -129.48 124.64 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -176.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.4 tp -95.91 133.0 40.62 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -139.18 168.79 19.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.72 31.56 3.35 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.386 0.612 . . . . 25.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.233 0.266 0 N-CA-C 114.14 0.785 . . . . 25.0 114.14 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.31 126.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -87.95 112.27 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-O 122.839 1.304 . . . . 25.0 108.196 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.26 2.1 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.387 -1.733 . . . . 25.0 109.572 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -136.04 175.13 9.88 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.987 -0.713 . . . . 25.0 110.215 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -87.23 3.66 45.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 172.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 tp -79.25 170.75 16.16 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 114.819 -1.082 . . . . 25.0 108.162 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 100.32 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.268 1.027 . . . . 25.0 108.461 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.35 121.53 31.7 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 109.425 -0.583 . . . . 50.0 109.425 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.76 95.27 5.39 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 165.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -134.51 153.62 51.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.472 -1.306 . . . . 25.0 107.472 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -128.07 149.15 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.859 0.838 . . . . 25.0 112.072 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.11 -40.97 1.73 Allowed Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.344 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 p 46.05 -142.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.965 -1.118 . . . . 25.0 111.323 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.91 -12.8 12.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.672 2.101 . . . . 25.0 116.672 -170.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 138.79 58.36 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 43.25 3.23 Favored Glycine 0 C--O 1.217 -0.931 0 N-CA-C 110.311 -1.116 . . . . 25.0 110.311 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.79 143.49 28.68 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -141.1 153.72 45.56 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 115.511 1.671 . . . . 75.0 115.511 -172.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -86.11 141.0 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 113.374 -1.739 . . . . 25.0 112.497 -164.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -116.95 150.97 37.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.215 1.806 . . . . 25.0 106.195 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 78.5 0.05 OUTLIER Glycine 0 N--CA 1.465 0.58 0 C-N-CA 119.799 -1.191 . . . . 25.0 114.388 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -35.73 -76.08 0.06 OUTLIER Glycine 0 N--CA 1.459 0.174 0 N-CA-C 120.634 3.014 . . . . 25.0 120.634 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -174.77 9.49 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 115.564 0.985 . . . . 25.0 115.564 -172.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.38 167.8 6.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 116.105 1.202 . . . . 25.0 116.105 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 81.26 5.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.79 148.9 38.1 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.074 -0.966 . . . . 50.0 113.164 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -129.57 104.09 7.25 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.78 117.88 24.36 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 -170.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.2 136.42 47.89 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.37 -8.66 2.23 Favored Glycine 0 C--O 1.206 -1.618 0 N-CA-C 115.429 0.932 . . . . 25.0 115.429 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 19.87 -99.3 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 119.104 3.002 . . . . 25.0 119.104 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.9 54.64 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 115.996 1.158 . . . . 25.0 115.996 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.4 167.9 32.3 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.522 -0.631 . . . . 25.0 111.522 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.16 133.45 14.12 Favored Glycine 0 C--N 1.315 -0.59 0 N-CA-C 107.615 -2.194 . . . . 25.0 107.615 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -128.17 153.85 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.47 0.635 . . . . 50.0 110.614 -169.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.6 mt -138.76 98.01 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.39 140.2 53.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -167.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -141.53 159.87 41.33 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.66 33.19 1.08 Allowed Glycine 0 C--O 1.219 -0.806 0 C-N-CA 120.081 -1.057 . . . . 25.0 113.759 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.66 -129.71 0.01 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.816 3.086 . . . . 25.0 120.816 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 147.93 52.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.068 -2.066 . . . . 25.0 112.092 -174.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.4 -173.01 23.62 Favored Glycine 0 C--N 1.313 -0.695 0 CA-C-N 113.68 -1.6 . . . . 25.0 115.231 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -102.35 109.45 21.11 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 103.765 -2.679 . . . . 25.0 103.765 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -117.8 157.64 26.22 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.844 1.424 . . . . 50.0 114.844 -168.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -124.93 107.58 11.01 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -120.77 109.8 15.6 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.662 -0.209 . . . . 25.0 110.806 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.1 31.19 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 121.332 -0.855 . . . . 25.0 111.125 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.63 -6.98 1.26 Allowed Glycine 0 N--CA 1.462 0.412 0 N-CA-C 117.044 1.577 . . . . 25.0 117.044 -174.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.28 -125.24 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 125.162 2.534 . . . . 25.0 119.058 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.5 144.84 35.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.832 -3.184 . . . . 25.0 111.695 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.7 162.09 37.94 Favored Glycine 0 C--O 1.244 0.722 0 N-CA-C 115.862 1.105 . . . . 25.0 115.862 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 69.01 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.25 -1.389 . . . . 25.0 107.25 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -68.13 158.92 32.03 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.25 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 m -118.37 96.41 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.774 0.797 . . . . 25.0 108.905 174.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -83.99 138.97 32.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -124.88 136.44 53.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.539 0.685 . . . . 25.0 111.962 -168.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -122.02 98.6 6.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.938 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.7 3.51 39.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 164.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 92.87 8.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.336 -1.302 . . . . 25.0 110.858 -175.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -86.45 -73.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.559 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -69.94 -19.15 63.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.715 1.245 . . . . 25.0 108.065 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -75.41 -10.3 59.33 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 114.232 -1.349 . . . . 25.0 112.233 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.43 37.7 3.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.643 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -102.76 163.81 12.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.469 0.652 . . . . 25.0 112.638 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.57 152.75 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -150.81 159.1 44.76 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 99.45 -4.278 . . . . 25.0 99.45 168.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.43 74.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.875 0.761 . . . . 25.0 109.768 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.57 2.39 48.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.03 84.73 0.07 OUTLIER Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.882 -0.675 . . . . 25.0 114.019 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -102.8 121.86 43.34 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.564 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -126.01 92.31 3.56 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 p -121.81 173.55 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.015 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.96 112.37 19.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.66 105.43 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.44 125.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.05 165.62 11.06 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 21.92 79.28 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.937 2.199 . . . . 25.0 116.937 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.17 39.55 1.45 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.408 -171.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -136.56 69.41 60.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 117.475 2.398 . . . . 25.0 117.475 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.69 20.28 1.21 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 N-CA-C 110.072 -0.78 . . . . 25.0 110.072 163.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.3 p 58.42 5.41 0.44 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.832 1.653 . . . . 25.0 114.742 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.95 26.66 3.29 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.239 0.616 . . . . 25.0 111.241 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.38 154.47 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -111.83 132.41 54.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.866 0.841 . . . . 25.0 112.214 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.85 120.34 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -100.46 118.16 36.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.449 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.57 12.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -69.57 -23.73 63.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.892 -0.505 . . . . 25.0 110.987 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.54 -18.2 63.64 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.6 0.238 . . . . 25.0 111.196 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.82 -14.02 35.33 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.37 -48.8 4.12 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.922 -1.671 . . . . 25.0 108.922 -167.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 t80 68.85 167.57 0.28 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.553 1.541 . . . . 25.0 109.539 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -113.85 -33.51 5.75 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.01 178.97 15.89 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.042 -1.623 . . . . 25.0 109.042 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 tp -122.23 42.81 3.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.073 0.94 . . . . 25.0 111.098 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.45 56.39 4.43 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.299 -0.864 . . . . 25.0 114.189 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 57.5 27.69 14.41 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.73 8.6 84.27 Favored Glycine 0 C--O 1.229 -0.16 0 N-CA-C 117.704 1.842 . . . . 25.0 117.704 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -121.42 167.58 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.1 0.95 . . . . 25.0 110.002 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.1 38.29 29.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.837 0.855 . . . . 25.0 110.097 -175.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.01 -9.25 32.89 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 115.124 0.81 . . . . 25.0 115.124 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 p -76.85 170.9 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.785 0.793 . . . . 25.0 109.824 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.75 170.4 7.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.84 152.81 47.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.62 144.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 t -145.06 147.32 32.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.99 129.58 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -120.46 127.47 52.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -74.01 -26.7 60.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -67.67 -26.32 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.621 0.724 . . . . 25.0 109.996 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.57 -12.25 45.0 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.825 -0.91 . . . . 25.0 110.825 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 52.22 32.75 11.23 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.207 1.003 . . . . 25.0 110.746 -176.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -132.09 154.37 49.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.187 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -125.76 106.27 9.57 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -90.71 144.49 25.69 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 111.622 -2.536 . . . . 25.0 109.148 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.49 125.82 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.81 167.55 29.7 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -115.31 151.27 34.88 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.648 -3.093 . . . . 25.0 102.648 173.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.71 4.98 3.37 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.626 -0.715 . . . . 25.0 112.822 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.21 -34.02 77.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.527 0.68 . . . . 25.0 110.784 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.9 p -138.51 140.62 39.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -114.45 -74.08 0.63 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.81 -1.086 . . . . 25.0 113.358 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.2 13.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.213 1.006 . . . . 25.0 108.967 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.677 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.7 mp0 -68.22 -30.61 69.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.967 -1.47 . . . . 25.0 110.807 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.07 67.97 0.44 Allowed Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 105.521 -3.032 . . . . 25.0 105.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 115.41 5.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.215 1.483 . . . . 25.0 109.722 -173.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.1 p -104.97 -179.54 3.97 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 111.629 -2.532 . . . . 25.0 109.622 -163.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -91.35 153.91 19.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -175.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -145.49 130.77 18.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.588 . . . . 25.0 109.814 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -141.97 166.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.8 149.72 35.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.05 131.14 40.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.08 113.3 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.97 23.5 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 106.754 -2.539 . . . . 25.0 106.754 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.36 31.54 6.42 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 16.09 0.08 Allowed 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -174.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 106.385 -1.709 . . . . 25.0 106.385 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.03 -6.28 55.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.608 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -127.49 42.23 3.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.371 0.605 . . . . 25.0 110.014 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.96 124.84 37.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 86.4 p -165.72 173.03 11.15 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.51 -20.81 66.5 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.044 0.45 . . . . 25.0 110.926 176.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.57 -36.18 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.8 -39.55 14.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.476 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 20.7 mm -114.49 128.75 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -173.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.8 tp -99.9 126.55 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.717 -1.586 . . . . 25.0 106.717 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.14 168.09 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.84 32.21 3.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.256 0.551 . . . . 25.0 111.427 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.587 -0.153 . . . . 25.0 110.587 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.65 -15.22 46.88 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.842 -1.639 . . . . 25.0 114.15 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -41.17 63.96 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.251 -0.277 . . . . 25.0 110.251 174.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.49 138.04 6.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.072 -1.085 . . . . 25.0 108.072 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -110.92 23.48 14.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.17 40.92 31.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.001 -1.0 . . . . 25.0 111.284 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.27 126.11 88.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -61.03 145.33 99.21 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 115.03 -2.847 . . . . 25.0 113.583 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mt -82.41 124.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.02 113.37 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 123.117 1.437 . . . . 25.0 107.674 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.14 2.26 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 112.984 -1.917 . . . . 25.0 110.606 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -132.2 174.31 10.35 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.215 -0.579 . . . . 25.0 110.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.65 4.64 46.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.743 0.782 . . . . 25.0 109.279 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.46 172.41 13.83 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 114.853 -1.067 . . . . 25.0 108.256 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.64 100.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.865 -1.531 . . . . 25.0 106.865 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -87.98 120.75 29.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -111.7 95.15 5.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 166.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -136.68 153.9 50.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -127.57 148.62 50.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.924 0.868 . . . . 25.0 112.11 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.27 -40.75 2.73 Favored Glycine 0 CA--C 1.506 -0.514 0 CA-C-N 113.765 -1.561 . . . . 25.0 110.631 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p 46.32 -144.92 0.23 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.121 -1.039 . . . . 25.0 110.53 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.58 -11.26 10.51 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.758 2.133 . . . . 25.0 116.758 -170.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 139.44 58.08 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.63 42.76 2.97 Favored Glycine 0 C--O 1.221 -0.664 0 N-CA-C 109.694 -1.363 . . . . 25.0 109.694 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.18 149.78 33.63 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.268 3.2 tp10 -140.76 156.45 46.17 Favored 'General case' 0 C--O 1.203 -1.357 0 N-CA-C 115.065 1.506 . . . . 75.0 115.065 -171.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.42 139.58 20.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 124.696 1.198 . . . . 25.0 108.822 -164.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -117.53 146.76 43.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 78.0 0.08 OUTLIER Glycine 0 N--CA 1.462 0.397 0 C-N-CA 119.631 -1.271 . . . . 25.0 114.489 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -31.35 -77.5 0.03 OUTLIER Glycine 0 C--O 1.236 0.24 0 N-CA-C 119.823 2.689 . . . . 25.0 119.823 -169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.54 -177.22 13.06 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-O 122.618 1.121 . . . . 25.0 114.036 -174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.54 165.01 5.46 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.525 1.37 . . . . 25.0 116.525 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.37 81.62 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.2 151.9 36.77 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.413 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -129.04 103.99 7.31 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -126.65 120.84 30.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.3 136.12 49.98 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 105.99 -1.855 . . . . 25.0 105.99 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.69 -8.04 4.03 Favored Glycine 0 C--O 1.212 -1.229 0 N-CA-C 115.356 0.902 . . . . 25.0 115.356 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 18.13 -97.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 119.253 3.057 . . . . 25.0 119.253 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 167.77 54.83 Favored Glycine 0 N--CA 1.465 0.629 0 O-C-N 120.822 -1.174 . . . . 25.0 115.586 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.72 165.56 22.34 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-O 121.797 0.665 . . . . 25.0 112.702 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.48 136.07 17.73 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 106.492 -2.643 . . . . 25.0 106.492 171.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -127.71 152.89 47.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.513 1.157 . . . . 50.0 109.06 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 95.9 mt -136.87 97.96 3.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -122.56 132.73 54.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -167.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 116.85 25.03 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.751 -1.113 . . . . 25.0 108.486 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.45 -22.43 54.01 Favored Glycine 0 N--CA 1.463 0.482 0 N-CA-C 116.782 1.473 . . . . 25.0 116.782 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.47 -159.35 38.1 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.42 2.678 . . . . 25.0 114.302 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.17 151.84 21.85 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 109.337 -3.431 . . . . 25.0 112.419 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.49 -174.68 35.21 Favored Glycine 0 C--N 1.312 -0.756 0 CA-C-N 113.428 -1.715 . . . . 25.0 113.107 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -104.88 107.79 18.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -110.12 156.67 20.28 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.999 -167.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -119.62 108.59 14.65 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.0 mt -120.68 108.7 14.33 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.037 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.47 140.41 37.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.283 -0.886 . . . . 25.0 109.549 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.35 -21.58 2.01 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 115.891 1.116 . . . . 25.0 115.891 -175.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.25 -130.39 41.15 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-O 126.116 3.065 . . . . 25.0 116.635 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -63.27 151.14 41.42 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 108.774 -3.713 . . . . 25.0 110.554 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 161.6 37.44 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 115.513 0.965 . . . . 25.0 115.513 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.58 68.68 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.935 -1.506 . . . . 25.0 106.935 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -68.61 154.19 42.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.645 -1.616 . . . . 50.0 109.229 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.0 m -114.97 101.66 9.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -97.73 124.09 41.93 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.534 -3.136 . . . . 25.0 102.534 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -127.94 149.94 50.11 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.701 0.762 . . . . 25.0 112.044 -165.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -121.57 103.13 8.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.567 -1.197 . . . . 25.0 112.795 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.46 2.15 36.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.272 -2.492 . . . . 25.0 104.272 160.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -90.58 91.11 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.119 -1.4 . . . . 25.0 110.816 -175.031 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -86.76 -72.04 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' HG3' HH21 ' A' ' 134' ' ' ARG . 14.7 mp0 -71.29 -17.09 62.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -73.8 -8.25 55.33 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 114.3 -1.318 . . . . 25.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -131.98 38.31 3.53 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.707 -0.679 . . . . 25.0 110.566 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 16.7 pt20 -102.6 163.63 12.11 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -135.98 156.71 48.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -178.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.7 p -150.96 167.72 26.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.268 -1.753 . . . . 25.0 106.268 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.78 -26.15 67.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.68 53.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 25.0 112.48 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.99 154.81 6.31 Favored Glycine 0 C--N 1.316 -0.575 0 CA-C-N 115.287 -0.869 . . . . 25.0 113.393 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 7.4 p -118.72 143.17 47.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.45 -0.441 . . . . 25.0 109.996 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -125.95 91.99 3.5 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 103.955 -2.609 . . . . 25.0 103.955 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 p -122.83 -179.59 4.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.353 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.23 109.66 15.66 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.32 104.27 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.27 125.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.67 165.99 10.93 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 22.32 80.16 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 117.183 2.29 . . . . 25.0 117.183 -175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.39 42.31 1.63 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 114.984 1.475 . . . . 25.0 114.984 -171.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -141.2 71.07 27.77 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 118.207 2.669 . . . . 25.0 118.207 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.62 21.26 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 N-CA-C 110.376 -0.663 . . . . 25.0 110.376 163.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.8 p 58.97 4.18 0.39 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.849 1.66 . . . . 25.0 114.974 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -136.59 29.81 2.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.335 0.654 . . . . 25.0 110.739 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.81 156.36 20.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.848 -1.538 . . . . 50.0 106.848 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -111.03 132.55 54.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.328 1.061 . . . . 25.0 112.064 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.35 122.89 27.15 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.758 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.75 15.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -65.22 -30.77 71.68 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.081 -0.387 . . . . 25.0 111.944 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.47 -14.01 61.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.13 -13.71 37.86 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.02 -51.11 4.25 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 109.339 -1.504 . . . . 25.0 109.339 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 21.4 t80 72.24 125.53 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.702 1.601 . . . . 25.0 110.149 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.0 p -78.55 -24.82 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.72 178.22 15.63 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 110.228 -1.149 . . . . 25.0 110.228 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.72 34.84 4.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.025 0.917 . . . . 25.0 110.162 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.58 57.34 4.48 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.363 -0.835 . . . . 25.0 114.487 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 56.67 26.9 11.81 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.163 1.542 . . . . 25.0 115.163 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 6.36 86.48 Favored Glycine 0 C--O 1.229 -0.179 0 N-CA-C 117.342 1.697 . . . . 25.0 117.342 171.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -117.46 167.53 11.2 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.184 0.992 . . . . 25.0 109.889 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.16 37.86 28.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.894 0.878 . . . . 25.0 110.287 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.17 -8.6 30.71 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 115.438 0.935 . . . . 25.0 115.438 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 p -77.06 172.8 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.583 0.691 . . . . 25.0 109.939 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.15 168.68 8.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.95 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.13 140.51 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -146.21 153.02 40.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.67 132.89 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.324 -1.361 . . . . 25.0 107.324 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.02 122.23 39.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.94 -27.05 49.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 25.0 111.278 -175.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.04 -26.57 65.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.388 0.613 . . . . 25.0 109.583 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.75 -10.01 51.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.758 -0.937 . . . . 25.0 110.758 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.71 32.12 11.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.107 0.963 . . . . 25.0 111.165 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.63 153.32 50.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.83 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -122.89 106.34 10.79 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.196 -2.52 . . . . 25.0 104.196 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.39 141.04 29.14 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 111.51 -2.586 . . . . 25.0 108.845 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.77 121.43 30.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -157.95 170.43 22.35 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.8 t -119.69 155.7 31.9 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 103.489 -2.782 . . . . 25.0 103.489 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.13 2.51 1.71 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.01 -33.92 76.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.512 0.672 . . . . 25.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.7 p -135.21 137.07 42.28 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -130.19 -73.09 0.56 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.994 -1.457 . . . . 25.0 109.799 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.82 -28.84 50.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.4 mp0 -78.78 -22.21 46.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.319 -1.309 . . . . 25.0 111.449 -175.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.2 84.47 0.07 OUTLIER Glycine 0 C--O 1.22 -0.769 0 N-CA-C 106.642 -2.583 . . . . 25.0 106.642 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.488 HH21 ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.23 127.93 33.6 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.848 1.308 . . . . 25.0 109.614 -172.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.34 165.96 12.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 112.438 -2.165 . . . . 25.0 110.251 -164.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 50.2 m-85 -90.87 154.51 19.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.856 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.81 130.5 16.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.005 0.522 . . . . 25.0 110.793 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.29 163.79 30.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.2 144.64 31.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tt -135.0 129.85 34.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -79.5 111.21 15.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.41 177.07 22.39 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 107.152 -2.379 . . . . 25.0 107.152 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.73 26.31 9.43 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 13.21 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.72 -28.43 61.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.08 60.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.38 36.8 3.78 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 118.07 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 99.2 p -160.16 164.22 33.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.71 68.54 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.223 0.535 . . . . 25.0 110.842 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.58 -33.09 68.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.953 -0.467 . . . . 25.0 110.21 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.68 -41.65 44.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.8 mt -129.1 121.3 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.878 -0.514 . . . . 25.0 112.147 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.9 tp -93.58 134.02 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -141.14 171.02 14.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.12 31.31 2.68 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.319 0.58 . . . . 25.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.62 150.61 88.97 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.34 -3.08 12.26 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 114.478 0.914 . . . . 25.0 114.478 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 8.2 p -128.82 136.38 29.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.0 153.54 72.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 115.868 -2.288 . . . . 25.0 112.352 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.711 -1.614 . . . . 25.0 107.859 -178.781 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.57 -14.22 41.49 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 116.519 -1.854 . . . . 25.0 113.982 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -49.28 27.29 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.48 -0.193 . . . . 25.0 110.48 175.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.45 151.82 13.69 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.88 26.92 4.3 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.62 23.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 25.0 112.785 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -64.37 129.76 94.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.831 -0.804 . . . . 25.0 108.831 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.09 139.62 61.86 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 115.137 -2.775 . . . . 25.0 112.885 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.07 130.75 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 105.484 -2.043 . . . . 25.0 105.484 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.25 109.89 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 122.874 1.321 . . . . 25.0 108.324 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.08 -136.76 2.78 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 113.32 -1.764 . . . . 25.0 109.969 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.5 t -132.3 170.23 15.35 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.267 -0.549 . . . . 25.0 110.746 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.82 4.38 44.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.507 0.67 . . . . 25.0 109.331 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 tp -81.85 175.47 10.39 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.72 110.81 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 173.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -95.96 123.66 39.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -116.35 94.99 4.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 165.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.9 mt -136.45 154.03 50.89 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 -173.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -131.91 148.91 52.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.804 0.811 . . . . 25.0 112.645 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -99.95 -39.74 3.26 Favored Glycine 0 CA--C 1.492 -1.354 0 CA-C-N 114.175 -1.375 . . . . 25.0 112.017 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 p 44.9 -142.58 0.22 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 113.591 -1.305 . . . . 25.0 110.694 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -14.52 35.84 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 116.787 2.143 . . . . 25.0 116.787 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.33 140.31 58.02 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.75 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.91 51.73 4.6 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 108.919 -1.672 . . . . 25.0 108.919 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -151.86 144.82 24.47 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 103.933 -2.618 . . . . 25.0 103.933 -175.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -141.05 -179.56 6.16 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 112.516 0.562 . . . . 75.0 112.516 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.2 mp -113.35 141.42 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -114.21 149.72 35.36 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.14 74.92 0.05 OUTLIER Glycine 0 N--CA 1.465 0.631 0 C-N-CA 119.901 -1.142 . . . . 25.0 113.613 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.05 -74.88 0.06 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.226 2.851 . . . . 25.0 120.226 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.24 -175.93 10.26 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-O 122.56 1.089 . . . . 25.0 114.908 -173.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 169.29 8.75 Favored Glycine 0 C--N 1.313 -0.746 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.91 82.23 4.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.48 149.47 35.02 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -171.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.28 104.45 7.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.76 120.29 28.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 -171.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -112.16 136.04 52.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.51 -5.84 3.55 Favored Glycine 0 C--O 1.21 -1.396 0 N-CA-C 116.577 1.391 . . . . 25.0 116.577 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 18.42 -96.4 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 118.157 2.651 . . . . 25.0 118.157 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.78 166.54 53.19 Favored Glycine 0 C--O 1.257 1.535 0 CA-C-O 122.725 1.181 . . . . 25.0 115.242 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.46 166.76 35.21 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.22 -0.99 . . . . 25.0 111.073 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.11 130.86 10.45 Favored Glycine 0 C--N 1.316 -0.552 0 N-CA-C 106.918 -2.473 . . . . 25.0 106.918 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -124.34 157.33 35.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.945 0.373 . . . . 50.0 111.464 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.88 98.55 3.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.15 143.01 50.74 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.66 161.41 39.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.85 34.24 1.24 Allowed Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.208 -0.996 . . . . 25.0 114.01 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 17.44 -126.04 0.01 OUTLIER Glycine 0 CA--C 1.509 -0.313 0 N-CA-C 119.816 2.686 . . . . 25.0 119.816 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 146.25 55.18 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.743 -1.729 . . . . 25.0 113.329 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 -171.94 22.88 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-N 113.559 -1.655 . . . . 25.0 116.806 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -99.89 111.55 23.86 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 102.127 -3.286 . . . . 25.0 102.127 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -121.37 158.78 27.52 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.974 -1.012 . . . . 50.0 113.381 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -123.31 106.05 10.37 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.3 mt -120.56 106.79 12.12 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 110.506 -0.183 . . . . 25.0 110.506 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.7 142.43 34.36 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.407 -0.808 . . . . 25.0 110.283 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.17 -21.93 1.61 Allowed Glycine 0 C--O 1.224 -0.497 0 N-CA-C 115.744 1.058 . . . . 25.0 115.744 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.87 -131.9 50.05 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-O 126.206 3.115 . . . . 25.0 116.588 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.3 147.22 48.83 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 108.46 -3.87 . . . . 25.0 110.28 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 164.4 40.12 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 115.865 1.106 . . . . 25.0 115.865 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.32 67.44 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.779 1.232 . . . . 25.0 107.859 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -68.31 153.29 44.04 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.934 -1.485 . . . . 50.0 109.38 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.1 m -112.03 111.28 22.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.504 0.668 . . . . 25.0 109.279 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -103.98 127.96 51.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.933 -2.247 . . . . 25.0 104.933 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -114.46 138.23 50.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.373 0.606 . . . . 25.0 112.041 -169.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.59 102.29 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.833 . . . . 25.0 112.447 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.47 4.82 30.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 164.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.33 85.01 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.039 -1.437 . . . . 25.0 112.059 -171.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -84.39 -68.4 0.72 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.902 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -68.7 -23.01 64.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.565 1.174 . . . . 25.0 108.815 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.19 -6.33 47.13 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.269 -1.332 . . . . 25.0 111.458 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -141.18 48.52 1.67 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 23.2 pt20 -102.79 160.76 14.31 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.46 151.87 50.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.338 -0.846 . . . . 25.0 113.266 -176.615 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.88 169.34 21.96 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.132 -1.803 . . . . 25.0 106.132 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.32 -25.53 66.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.13 -4.8 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 25.0 112.072 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.4 151.09 5.34 Favored Glycine 0 C--N 1.317 -0.482 0 CA-C-N 115.137 -0.938 . . . . 25.0 113.956 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.8 t -118.45 136.8 53.58 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -125.41 92.27 3.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -128.27 164.84 21.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.75 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.67 118.11 30.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 50.0 109.67 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.81 105.09 17.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -81.87 124.45 39.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.2 mt -100.99 165.99 11.04 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 22.41 80.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -140.79 43.18 1.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 38.8 t0 -139.59 69.86 38.21 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -87.22 20.95 1.12 Allowed 'Trans proline' 0 CA--C 1.541 0.859 0 N-CA-C 110.221 -0.723 . . . . 25.0 110.221 163.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 58.99 4.2 0.39 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.788 1.635 . . . . 25.0 115.044 -171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -138.62 34.0 2.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.388 0.675 . . . . 25.0 110.698 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.59 19.97 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.575 -1.268 . . . . 50.0 107.575 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 127.26 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.233 1.016 . . . . 25.0 112.988 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.2 tp -121.85 128.32 51.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -112.99 114.36 26.79 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.444 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.11 14.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -68.02 -25.74 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.953 -0.467 . . . . 25.0 110.535 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.58 -9.07 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.11 -12.43 41.15 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.596 -1.261 . . . . 25.0 107.596 170.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.68 -51.69 4.5 Favored Glycine 0 C--O 1.228 -0.241 0 N-CA-C 108.808 -1.717 . . . . 25.0 108.808 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 71.32 157.36 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.349 1.459 . . . . 25.0 109.071 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.1 p -119.65 -16.64 8.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 -172.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 176.05 14.25 Favored Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 108.146 -1.982 . . . . 25.0 108.146 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.59 29.64 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.074 0.937 . . . . 25.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.45 60.44 2.82 Favored Glycine 0 C--O 1.225 -0.423 0 N-CA-C 115.574 0.99 . . . . 25.0 115.574 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.02 27.11 14.35 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.0 84.72 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 168.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.97 168.22 12.6 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.831 0.816 . . . . 25.0 109.514 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.58 38.27 27.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.845 0.858 . . . . 25.0 109.719 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.0 16.37 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 115.284 0.874 . . . . 25.0 115.284 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -72.0 172.5 9.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.74 0.77 . . . . 25.0 110.626 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.05 169.44 8.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.02 152.92 39.26 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.513 -2.032 . . . . 25.0 105.513 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.02 140.12 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -148.33 148.88 30.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.94 128.8 63.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -121.05 125.9 48.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.34 -22.82 57.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -66.84 -26.87 67.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 109.939 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.42 -9.79 37.66 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.98 34.81 14.51 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.259 1.028 . . . . 25.0 110.435 -175.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -130.24 153.7 48.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.01 -0.996 . . . . 25.0 112.519 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -126.15 108.54 11.42 Favored 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 103.576 -2.749 . . . . 25.0 103.576 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -93.33 143.86 25.87 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 111.62 -2.536 . . . . 25.0 109.215 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -127.81 121.12 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.01 165.06 36.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 -177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 t -115.26 151.12 35.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 103.314 -2.847 . . . . 25.0 103.314 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.66 2.05 3.42 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.68 -33.35 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.437 0.637 . . . . 25.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.3 p -132.06 132.48 43.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -126.13 -75.51 0.59 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.06 -1.427 . . . . 25.0 110.17 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.02 55.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.9 mp0 -76.83 -22.27 53.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.213 -1.358 . . . . 25.0 110.958 -176.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.2 79.24 0.08 OUTLIER Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.479 -1.448 . . . . 25.0 109.479 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 120.38 11.79 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 122.528 1.156 . . . . 25.0 109.602 -175.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.31 165.91 11.97 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.203 -1.817 . . . . 25.0 109.91 -167.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 51.6 p90 -90.3 152.99 20.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -146.75 140.99 26.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.98 161.84 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.8 t -138.39 143.51 39.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.03 126.8 29.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -78.45 112.3 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 150.24 174.85 21.81 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 106.97 -2.452 . . . . 25.0 106.97 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -118.17 30.12 7.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 17.78 0.06 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.38 65.07 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.864 -1.902 . . . . 25.0 105.864 169.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.05 59.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.36 -0.836 . . . . 25.0 109.477 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.86 3.4 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.986 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.2 116.64 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -158.42 165.65 34.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.56 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.269 0.557 . . . . 25.0 110.724 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.88 -33.52 70.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.005 -0.434 . . . . 25.0 110.023 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.61 -41.09 47.36 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.39 124.62 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.613 -0.679 . . . . 25.0 112.504 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.4 tp -95.97 132.38 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -146.15 168.13 21.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.41 29.82 2.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.562 0.696 . . . . 25.0 110.251 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.54 145.6 85.08 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.686 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -74.0 -6.19 18.16 Favored 'Trans proline' 0 C--N 1.352 0.762 0 N-CA-C 114.508 0.926 . . . . 25.0 114.508 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 14.7 p -128.47 142.42 44.7 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 103.835 -2.654 . . . . 25.0 103.835 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.15 174.86 7.38 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 115.748 -2.368 . . . . 25.0 114.997 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.932 -1.509 . . . . 25.0 107.402 177.506 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.83 -14.81 42.59 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 116.109 -2.127 . . . . 25.0 113.974 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -48.76 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.557 0.218 . . . . 25.0 110.656 175.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.31 155.11 19.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.85 29.67 5.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.94 40.95 30.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.683 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -71.37 120.99 82.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.05 146.76 96.06 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 114.843 -2.971 . . . . 25.0 114.856 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -81.99 132.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.62 114.6 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-O 123.214 1.483 . . . . 25.0 108.084 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -136.43 2.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 112.653 -2.067 . . . . 25.0 110.554 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -127.0 168.13 14.97 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.275 -0.544 . . . . 25.0 110.694 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.47 2.75 49.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.464 0.65 . . . . 25.0 109.556 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.13 174.66 11.38 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -67.78 111.21 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.64 126.04 39.68 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.148 -1.056 . . . . 50.0 108.148 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.24 95.05 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 164.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.91 153.88 50.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -173.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -128.62 149.38 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.891 0.853 . . . . 25.0 112.119 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -104.88 -39.56 2.31 Favored Glycine 0 CA--C 1.496 -1.14 0 CA-C-N 113.975 -1.466 . . . . 25.0 111.583 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.2 p 45.94 -144.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.686 -1.257 . . . . 25.0 111.212 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.56 -10.17 7.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.795 2.146 . . . . 25.0 116.795 -170.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 137.98 58.02 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 174.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.64 44.54 3.37 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.143 -1.183 . . . . 25.0 110.143 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -150.53 157.19 42.71 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 104.193 -2.521 . . . . 25.0 104.193 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -140.81 -179.62 6.16 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 123.148 0.28 . . . . 50.0 111.557 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -117.61 138.96 46.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 122.977 0.511 . . . . 25.0 111.078 -167.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.4 t -114.15 148.64 36.89 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.8 72.98 0.1 OUTLIER Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.102 -1.047 . . . . 25.0 112.259 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.05 0.04 OUTLIER Glycine 0 C--O 1.238 0.352 0 N-CA-C 119.514 2.566 . . . . 25.0 119.514 -168.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.5 -177.06 12.51 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-O 122.814 1.23 . . . . 25.0 113.939 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 165.23 5.05 Favored Glycine 0 C--N 1.309 -0.93 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.19 81.74 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -79.18 152.16 30.86 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -128.68 104.12 7.47 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 104.948 -2.242 . . . . 25.0 104.948 171.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -125.65 119.82 29.07 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -109.98 136.81 48.66 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -6.15 2.85 Favored Glycine 0 C--O 1.208 -1.485 0 N-CA-C 115.448 0.939 . . . . 25.0 115.448 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 18.88 -96.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 118.263 2.69 . . . . 25.0 118.263 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.13 166.46 54.39 Favored Glycine 0 C--O 1.254 1.395 0 CA-C-O 122.531 1.073 . . . . 25.0 115.626 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.86 167.26 34.78 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.687 -0.965 . . . . 25.0 110.687 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.43 133.94 13.96 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 106.934 -2.466 . . . . 25.0 106.934 171.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.76 155.11 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.24 0.52 . . . . 50.0 111.051 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.78 99.73 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.68 134.29 53.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.81 116.74 20.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.341 -1.725 . . . . 25.0 106.341 172.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.65 -17.69 65.45 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 116.435 1.334 . . . . 25.0 116.435 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.44 -156.87 41.77 Favored Glycine 0 N--CA 1.425 -2.054 0 CA-C-O 125.446 2.692 . . . . 25.0 113.358 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 148.1 34.35 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.368 -3.416 . . . . 25.0 112.202 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -173.31 30.28 Favored Glycine 0 C--N 1.313 -0.718 0 CA-C-N 113.458 -1.701 . . . . 25.0 115.217 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -98.33 105.73 17.91 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.6 151.9 29.53 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.63 108.74 15.81 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 106.768 -1.567 . . . . 25.0 106.768 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -119.89 104.52 10.25 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 119.698 -0.191 . . . . 25.0 111.376 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.43 141.07 35.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.314 -0.866 . . . . 25.0 110.419 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -7.6 2.3 Favored Glycine 0 N--CA 1.462 0.418 0 N-CA-C 117.313 1.685 . . . . 25.0 117.313 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.15 -126.95 2.07 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-O 125.418 2.676 . . . . 25.0 118.514 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.2 144.7 49.47 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 109.492 -3.354 . . . . 25.0 111.523 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.31 161.35 36.56 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.44 0.936 . . . . 25.0 115.44 174.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.67 66.54 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -67.75 153.87 42.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.114 -1.403 . . . . 50.0 109.507 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.9 m -112.47 104.86 12.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -98.47 122.91 42.25 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.677 -3.083 . . . . 25.0 102.677 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -123.18 143.99 49.65 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.844 0.831 . . . . 25.0 111.975 -166.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.83 99.27 6.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.576 -1.193 . . . . 25.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.13 3.19 43.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 95.29 9.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.276 -1.329 . . . . 25.0 110.534 -175.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.79 -72.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.064 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -70.52 -19.08 62.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.891 1.329 . . . . 25.0 107.879 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -74.74 -10.32 59.4 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 113.822 -1.536 . . . . 25.0 111.922 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -130.75 36.56 3.89 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.632 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -102.05 164.8 11.51 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.57 155.0 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.87 168.21 25.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.713 -1.958 . . . . 25.0 105.713 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.51 66.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.62 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.57 0.7 . . . . 25.0 112.123 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.65 152.0 5.54 Favored Glycine 0 C--N 1.316 -0.571 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.468 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.7 p -118.79 143.03 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -125.89 92.46 3.6 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 103.75 -2.685 . . . . 25.0 103.75 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 p -125.36 177.9 5.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.347 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.68 111.84 17.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.84 105.27 17.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.62 121.32 37.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.6 mt -101.53 159.81 14.97 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.397 -0.223 . . . . 25.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.32 79.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 123.079 1.419 . . . . 25.0 114.423 -177.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.38 41.33 0.88 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 -169.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -140.78 72.23 29.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 117.749 2.5 . . . . 25.0 117.749 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.68 22.09 0.95 Allowed 'Trans proline' 0 CA--C 1.541 0.835 0 N-CA-C 110.22 -0.723 . . . . 25.0 110.22 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p 59.94 5.09 0.68 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.915 1.686 . . . . 25.0 114.549 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -144.63 53.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 155.9 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.465 -2.05 . . . . 50.0 105.465 173.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.04 128.58 55.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.326 1.06 . . . . 25.0 113.288 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.7 tp -119.06 131.79 55.98 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -120.31 119.13 32.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.283 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.26 14.25 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.9 -24.89 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.136 -0.353 . . . . 25.0 111.853 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.1 62.16 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.548 0.203 . . . . 25.0 111.548 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.2 mt -93.18 -9.2 40.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.87 -49.74 4.18 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 114.459 -1.246 . . . . 25.0 110.178 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 68.42 169.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.965 1.306 . . . . 25.0 109.739 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.0 p -124.88 -51.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.92 178.91 38.59 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 107.927 -2.069 . . . . 25.0 107.927 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.54 24.75 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.092 0.946 . . . . 25.0 109.006 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.25 64.14 2.08 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 61.56 22.76 13.16 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.38 10.5 82.01 Favored Glycine 0 C--N 1.323 -0.141 0 N-CA-C 118.061 1.984 . . . . 25.0 118.061 166.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -123.5 168.09 13.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.853 0.827 . . . . 25.0 109.821 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 38.28 29.29 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.808 0.843 . . . . 25.0 109.948 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.78 -8.12 45.33 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 p -77.46 171.82 14.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.078 0.939 . . . . 25.0 110.199 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.65 171.74 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.62 152.79 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.759 -1.941 . . . . 25.0 105.759 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -114.32 142.69 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -143.67 148.51 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.82 -1.918 . . . . 25.0 105.82 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.77 131.8 62.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.15 39.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -77.43 -29.08 52.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 25.0 110.96 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.06 -26.79 66.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.416 0.627 . . . . 25.0 109.798 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.72 -9.13 53.41 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.8 33.45 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.12 0.962 . . . . 25.0 111.527 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -132.1 155.54 47.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.677 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.2 t -127.91 108.6 10.83 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 103.737 -2.69 . . . . 25.0 103.737 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.59 142.66 27.09 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 111.848 -2.433 . . . . 25.0 109.168 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -130.28 125.9 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -158.0 165.34 35.35 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.4 t -115.38 151.28 34.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.227 -3.249 . . . . 25.0 102.227 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.78 5.71 2.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 113.742 1.015 . . . . 25.0 113.742 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -65.3 -32.84 74.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.607 0.718 . . . . 25.0 111.107 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.1 p -134.86 138.69 44.41 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -125.4 -73.65 0.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.715 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -81.83 -29.02 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.2 mp0 -77.2 -23.78 51.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.849 -175.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.15 79.46 0.1 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.766 -2.134 . . . . 25.0 107.766 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 115.9 5.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.841 1.305 . . . . 25.0 109.617 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.34 166.1 11.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 111.757 -2.474 . . . . 25.0 110.727 -162.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -76.31 152.37 36.43 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.01 130.15 18.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.5 164.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.76 147.41 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.03 132.33 39.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -80.7 113.81 19.15 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.6 179.54 21.94 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 106.839 -2.504 . . . . 25.0 106.839 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.56 32.3 6.15 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 17.11 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.42 65.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.05 -1.833 . . . . 25.0 106.05 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.28 -11.06 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.459 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.23 41.71 3.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.053 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.6 113.48 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -156.96 166.51 33.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.15 70.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.173 0.511 . . . . 25.0 110.743 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.22 -33.11 71.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.159 -0.338 . . . . 25.0 110.212 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.51 -41.22 40.08 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.1 mt -128.5 122.32 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.817 -0.552 . . . . 25.0 112.346 -175.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.3 tp -94.98 131.94 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.428 -0.952 . . . . 25.0 108.428 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.95 168.17 20.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.94 30.69 3.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.424 0.63 . . . . 25.0 111.439 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.78 147.25 61.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 107.27 -1.382 . . . . 25.0 107.27 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.88 1.67 7.42 Favored 'Trans proline' 0 C--N 1.351 0.699 0 N-CA-C 114.832 1.051 . . . . 25.0 114.832 -178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.6 143.24 47.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.3 155.91 66.05 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 114.6 -3.133 . . . . 25.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.221 -178.056 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 110.451 -0.203 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.23 -13.32 37.57 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 116.613 -1.791 . . . . 25.0 114.105 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -53.92 9.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.727 -0.471 . . . . 25.0 109.727 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.72 157.7 24.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -128.87 25.06 5.64 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.76 -0.829 . . . . 25.0 108.76 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.91 33.97 23.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.962 0.905 . . . . 25.0 111.597 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -63.79 126.51 90.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -62.96 144.75 93.73 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 114.423 -3.252 . . . . 25.0 113.729 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.15 129.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.01 114.23 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-O 123.099 1.428 . . . . 25.0 108.214 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.29 -137.71 2.24 Favored Glycine 0 C--N 1.314 -0.651 0 CA-C-N 112.834 -1.985 . . . . 25.0 110.739 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -122.0 170.27 9.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.146 0.498 . . . . 25.0 111.021 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.44 2.63 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.551 0.691 . . . . 25.0 109.367 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.21 175.59 10.17 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.47 111.61 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.919 -1.512 . . . . 25.0 106.919 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -95.93 126.81 41.44 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.06 95.19 4.88 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.45 154.01 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -173.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -128.64 148.14 50.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.907 0.861 . . . . 25.0 112.273 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.11 -41.71 1.76 Allowed Glycine 0 CA--C 1.497 -1.068 0 CA-C-N 113.835 -1.53 . . . . 25.0 111.1 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.2 p 44.82 -143.64 0.18 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.888 -1.156 . . . . 25.0 111.036 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.18 -9.82 5.48 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.811 2.152 . . . . 25.0 116.811 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 137.9 58.12 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 46.21 3.64 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 110.379 -1.088 . . . . 25.0 110.379 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.0 159.19 44.73 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 104.068 -2.568 . . . . 25.0 104.068 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -140.8 -179.48 6.08 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.145 0.424 . . . . 50.0 112.145 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.493 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.4 mp -121.59 140.13 46.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 123.045 0.538 . . . . 25.0 110.672 -168.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -118.61 159.24 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.51 79.07 0.06 OUTLIER Glycine 0 N--CA 1.462 0.433 0 C-N-CA 120.029 -1.081 . . . . 25.0 112.55 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.52 -80.82 0.01 OUTLIER Glycine 0 C--O 1.239 0.466 0 N-CA-C 119.083 2.393 . . . . 25.0 119.083 -167.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.28 -175.84 10.23 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-O 122.895 1.275 . . . . 25.0 113.442 -175.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.71 164.8 5.54 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 116.54 1.376 . . . . 25.0 116.54 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.3 81.97 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.64 152.47 29.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -170.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -128.04 103.98 7.53 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.39 118.1 25.94 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.306 -2.109 . . . . 25.0 105.306 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -106.16 136.04 46.56 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.739 -1.948 . . . . 25.0 105.739 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.81 -10.97 1.31 Allowed Glycine 0 C--O 1.21 -1.394 0 C-N-CA 120.221 -0.99 . . . . 25.0 115.369 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 18.78 -95.67 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.543 2.794 . . . . 25.0 118.543 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.75 54.92 Favored Glycine 0 C--O 1.251 1.215 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.49 167.23 33.87 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 110.936 -0.866 . . . . 25.0 110.936 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.83 131.85 11.39 Favored Glycine 0 C--N 1.315 -0.606 0 N-CA-C 107.045 -2.422 . . . . 25.0 107.045 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -127.68 154.58 45.13 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.151 0.476 . . . . 50.0 110.994 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.6 mt -139.28 101.47 4.26 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.43 131.44 53.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -170.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.69 114.14 18.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 171.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.5 -16.77 77.26 Favored Glycine 0 C--O 1.238 0.385 0 N-CA-C 116.214 1.246 . . . . 25.0 116.214 -174.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 70.67 -171.88 43.7 Favored Glycine 0 N--CA 1.422 -2.266 0 CA-C-O 124.437 2.132 . . . . 25.0 111.796 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.1 19.72 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 110.914 -2.643 . . . . 25.0 111.894 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -174.8 21.72 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 113.507 -1.679 . . . . 25.0 115.713 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 80' ' ' SER . 15.2 tpp85 -98.89 106.68 18.97 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 103.631 -2.729 . . . . 25.0 103.631 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.32 155.49 29.46 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -118.29 109.31 16.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.46 102.21 8.3 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -171.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.79 145.52 25.76 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.171 -0.956 . . . . 25.0 111.325 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.58 0.34 1.23 Allowed Glycine 0 N--CA 1.462 0.404 0 N-CA-C 117.719 1.848 . . . . 25.0 117.719 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 26.43 -123.66 0.05 OUTLIER Glycine 0 CA--C 1.507 -0.44 0 N-CA-C 120.253 2.861 . . . . 25.0 120.253 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -57.22 144.0 37.02 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 110.63 -2.785 . . . . 25.0 111.7 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.82 34.6 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 115.304 0.882 . . . . 25.0 115.304 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.64 66.31 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -68.7 155.28 40.38 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.286 -1.325 . . . . 50.0 109.227 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -114.2 96.34 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.65 0.738 . . . . 25.0 109.121 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -87.77 130.49 34.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 102.506 -3.146 . . . . 25.0 102.506 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -129.92 144.5 51.35 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.943 0.878 . . . . 25.0 113.149 -165.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.18 104.77 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.282 -1.327 . . . . 25.0 113.557 -170.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.47 13.5 34.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 102.663 -3.088 . . . . 25.0 102.663 160.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.7 mt -87.82 69.09 9.5 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 113.364 -1.744 . . . . 25.0 113.435 -168.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -76.27 -68.07 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.812 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -70.47 -24.42 62.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.202 1.001 . . . . 25.0 109.167 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.38 -9.57 58.68 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 114.922 -1.035 . . . . 25.0 111.715 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -140.71 48.2 1.73 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.819 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 24.9 pt20 -102.46 161.53 13.64 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -173.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 155.02 51.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.44 168.29 24.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.41 66.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -5.65 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 25.0 112.069 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.52 150.54 5.22 Favored Glycine 0 C--N 1.316 -0.569 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.612 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -118.35 141.31 48.66 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -125.57 92.57 3.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.658 -2.349 . . . . 25.0 104.658 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.411 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 11.1 p -127.72 161.58 28.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.126 0.488 . . . . 25.0 111.991 -170.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -95.7 115.64 27.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.655 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.2 105.72 17.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -83.36 124.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.47 159.48 15.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.302 -0.258 . . . . 25.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.19 80.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.996 1.379 . . . . 25.0 114.625 -177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.74 40.11 0.81 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 -170.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -141.13 71.95 27.55 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 117.756 2.502 . . . . 25.0 117.756 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.19 22.08 0.97 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 N-CA-C 110.306 -0.69 . . . . 25.0 110.306 164.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.2 5.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.728 1.611 . . . . 25.0 114.588 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -137.29 29.2 2.74 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.274 0.63 . . . . 25.0 110.662 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 156.76 19.31 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.262 -1.384 . . . . 50.0 107.262 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.4 130.16 55.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.231 1.015 . . . . 25.0 112.537 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -121.43 129.74 53.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.27 119.02 35.58 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -126.91 16.13 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -67.94 -26.36 65.92 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.959 -0.463 . . . . 25.0 111.023 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.79 -8.5 58.09 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.0 mt -89.5 -13.44 37.46 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.78 4.47 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 109.22 -1.552 . . . . 25.0 109.22 -172.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 69.58 159.36 0.18 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.222 1.409 . . . . 25.0 109.351 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.5 p -119.64 -18.83 8.28 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.68 -177.54 17.23 Favored Glycine 0 CA--C 1.506 -0.517 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 tp -119.65 129.2 54.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.86 44.03 0.21 Allowed Glycine 0 C--O 1.222 -0.612 0 N-CA-C 110.839 -0.905 . . . . 25.0 110.839 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 58.33 27.19 14.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.59 80.15 Favored Glycine 0 CA--C 1.512 -0.11 0 N-CA-C 117.257 1.663 . . . . 25.0 117.257 169.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -126.8 170.25 12.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.879 0.84 . . . . 25.0 109.701 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.79 37.77 27.16 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.834 0.854 . . . . 25.0 109.489 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.26 -22.8 3.56 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 115.468 0.947 . . . . 25.0 115.468 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.0 p -68.71 173.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.461 0.63 . . . . 25.0 111.883 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 169.77 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.741 0.782 . . . . 25.0 110.261 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.45 152.99 38.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.61 144.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.8 p -144.97 158.06 43.93 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.1 134.44 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.97 122.32 39.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.101 -2.185 . . . . 25.0 105.101 176.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -79.76 -26.24 40.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.877 0.37 . . . . 25.0 111.97 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -68.29 -26.45 65.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.696 0.76 . . . . 25.0 109.57 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.17 -8.56 50.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.628 -0.989 . . . . 25.0 110.628 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.77 33.93 9.27 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.178 0.991 . . . . 25.0 111.557 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -129.23 155.65 45.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.423 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -131.21 114.14 14.7 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.55 146.03 26.86 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 111.494 -2.594 . . . . 25.0 109.849 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.29 126.77 32.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -157.9 170.5 22.18 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.8 t -124.24 147.18 48.26 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.16 -2.904 . . . . 25.0 103.16 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.4 9.43 2.7 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.01 -30.35 71.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.618 0.723 . . . . 25.0 110.383 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -131.77 139.31 48.9 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.88 -66.19 1.08 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.794 -1.094 . . . . 25.0 111.802 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 -31.14 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.979 0.895 . . . . 25.0 108.671 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 14.3 mp0 -72.34 -29.51 63.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.391 -1.277 . . . . 25.0 110.328 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.14 69.94 0.28 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.441 -1.863 . . . . 25.0 108.441 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 118.48 8.74 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 122.674 1.226 . . . . 25.0 109.806 -176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -98.57 165.62 11.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 112.859 -1.973 . . . . 25.0 109.79 -168.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 40.2 p90 -84.61 153.53 23.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.426 -0.806 . . . . 25.0 109.796 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -139.51 135.23 33.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.8 m -136.32 163.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.4 t -144.17 146.94 33.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.94 134.41 38.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -81.16 111.89 18.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.35 179.61 25.36 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 107.017 -2.433 . . . . 25.0 107.017 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.49 27.79 8.37 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 15.9 0.06 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.88 63.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.208 -1.775 . . . . 25.0 106.208 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.25 -10.33 59.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.151 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.64 37.84 3.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.857 -0.61 . . . . 25.0 109.538 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.6 113.26 9.45 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.0 p -158.34 165.06 35.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.09 67.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.197 0.522 . . . . 25.0 110.858 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -73.47 -34.43 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.044 -0.41 . . . . 25.0 110.588 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.34 -38.97 49.17 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.291 0.496 . . . . 25.0 112.072 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.6 mt -128.68 125.22 63.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.997 -0.439 . . . . 25.0 111.845 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.3 tp -93.8 130.2 39.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.097 -1.446 . . . . 25.0 107.097 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -145.99 169.07 19.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.42 29.21 3.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.674 0.749 . . . . 25.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.1 146.33 58.49 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.04 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.5 -5.42 16.87 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 114.61 0.965 . . . . 25.0 114.61 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 14.6 p -128.94 141.55 42.12 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -69.8 -179.44 2.93 Favored 'Trans proline' 0 C--O 1.24 0.621 0 N-CA-C 115.479 1.3 . . . . 25.0 115.479 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.252 1.218 0 CA-C-O 116.621 -1.657 . . . . 25.0 107.732 179.404 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.433 -0.21 . . . . 25.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.86 -15.39 43.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.873 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -49.4 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.668 0.27 . . . . 25.0 110.466 175.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.71 155.41 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -128.85 30.85 5.03 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.08 31.79 16.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.156 -0.929 . . . . 25.0 113.094 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -62.67 130.04 93.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 32.3 Cg_exo -66.34 151.44 83.28 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 114.054 -3.497 . . . . 25.0 115.533 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 mt -82.29 131.64 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.164 -1.791 . . . . 25.0 106.164 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -86.18 111.66 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 122.727 1.251 . . . . 25.0 107.861 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.77 -137.69 3.38 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 113.457 -1.701 . . . . 25.0 111.255 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -125.36 170.22 11.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.258 0.551 . . . . 25.0 111.092 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -88.78 3.73 50.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 25.0 109.544 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.97 173.31 12.72 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.5 101.42 1.59 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -86.77 120.0 27.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.7 95.77 5.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 104.732 -2.322 . . . . 25.0 104.732 165.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.3 mt -138.58 153.93 48.69 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -127.14 148.76 50.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.769 0.795 . . . . 25.0 112.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.1 -40.2 2.15 Favored Glycine 0 C--O 1.225 -0.438 0 CA-C-N 113.759 -1.564 . . . . 25.0 110.651 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p 46.97 -148.53 0.14 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.089 -1.055 . . . . 25.0 111.76 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.58 -12.79 7.26 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -170.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 140.83 58.01 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 53.11 4.67 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 108.962 -1.655 . . . . 25.0 108.962 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.47 144.83 24.78 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 105.597 -2.001 . . . . 25.0 105.597 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO 0.311 3.0 tp10 -140.97 156.18 46.1 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 124.952 1.407 . . . . 75.0 113.764 -175.308 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.15 137.01 44.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 C-N-CA 123.888 0.875 . . . . 25.0 109.863 -162.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 t -114.04 154.79 27.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.62 78.08 0.07 OUTLIER Glycine 0 C--N 1.321 -0.292 0 C-N-CA 119.943 -1.122 . . . . 25.0 112.857 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -77.1 0.02 OUTLIER Glycine 0 C--O 1.238 0.372 0 N-CA-C 119.59 2.596 . . . . 25.0 119.59 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -177.27 14.03 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-O 122.745 1.191 . . . . 25.0 113.784 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.01 164.0 5.47 Favored Glycine 0 C--N 1.31 -0.894 0 N-CA-C 116.517 1.367 . . . . 25.0 116.517 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.02 81.48 5.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.62 152.02 34.08 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -129.1 104.18 7.41 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -125.22 121.42 34.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.8 136.14 49.59 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.33 -9.68 2.05 Favored Glycine 0 C--O 1.211 -1.328 0 C-N-CA 120.195 -1.002 . . . . 25.0 115.492 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 19.9 -97.57 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 119.597 3.184 . . . . 25.0 119.597 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.52 169.48 54.36 Favored Glycine 0 N--CA 1.462 0.421 0 O-C-N 121.01 -1.056 . . . . 25.0 115.547 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.09 162.66 20.06 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-O 121.499 0.499 . . . . 25.0 112.209 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.67 131.97 11.97 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.43 155.21 45.13 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 117.687 0.744 . . . . 50.0 110.127 -167.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.92 101.89 4.15 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.63 135.34 53.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.475 0.655 . . . . 25.0 112.409 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.7 116.75 20.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.477 -1.238 . . . . 25.0 107.723 172.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.72 -19.1 62.3 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 116.651 1.421 . . . . 25.0 116.651 -173.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.02 -158.45 41.45 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-O 125.284 2.602 . . . . 25.0 113.139 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 149.51 30.94 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 109.554 -3.323 . . . . 25.0 111.993 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.87 30.36 Favored Glycine 0 C--N 1.314 -0.67 0 CA-C-N 113.443 -1.708 . . . . 25.0 115.059 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -99.33 104.81 16.74 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.52 152.91 26.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.901 1.074 . . . . 50.0 113.901 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -119.62 109.77 16.06 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 106.992 -1.484 . . . . 25.0 106.992 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.9 mt -121.7 101.45 7.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.193 -0.942 . . . . 25.0 110.404 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.89 -7.81 1.75 Allowed Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.665 1.426 . . . . 25.0 116.665 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.93 -128.87 1.12 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-O 125.5 2.722 . . . . 25.0 119.225 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.53 141.97 45.98 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 109.425 -3.388 . . . . 25.0 111.992 -176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.41 160.7 34.5 Favored Glycine 0 C--O 1.245 0.792 0 N-CA-C 115.592 0.997 . . . . 25.0 115.592 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.61 66.0 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.7 154.94 41.01 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.237 -1.347 . . . . 50.0 109.504 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.1 m -112.19 105.96 14.43 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -99.81 123.38 44.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 102.235 -3.246 . . . . 25.0 102.235 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -125.32 144.77 50.33 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.932 0.872 . . . . 25.0 111.869 -164.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -120.19 102.04 8.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.926 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.81 1.84 37.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 91.43 8.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.212 -1.358 . . . . 25.0 110.739 -175.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -85.75 -71.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.337 0.866 . . . . 25.0 113.337 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -69.98 -19.77 63.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.406 1.098 . . . . 25.0 108.161 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -74.46 -8.32 55.9 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.919 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -133.61 36.84 3.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.155 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -102.61 166.64 10.4 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 154.16 48.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.208 1.188 . . . . 25.0 114.208 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.8 p -150.78 170.68 18.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.78 65.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.62 -6.79 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.675 0.75 . . . . 25.0 111.939 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.22 150.66 5.26 Favored Glycine 0 C--N 1.315 -0.616 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.887 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -118.45 141.11 48.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -125.77 92.49 3.61 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 103.219 -2.882 . . . . 25.0 103.219 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -124.98 177.97 5.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.416 -169.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.65 112.18 18.11 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mp -95.47 104.19 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -83.67 126.28 40.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -101.83 165.77 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 23.15 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.733 2.123 . . . . 25.0 116.733 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.25 39.91 1.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.679 -1.601 . . . . 25.0 114.746 -170.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -139.53 70.95 38.39 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.81 22.33 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.925 0 N-CA-C 110.082 -0.776 . . . . 25.0 110.082 164.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.34 7.44 0.93 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.639 1.576 . . . . 25.0 114.422 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -146.25 54.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.19 22.34 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -111.2 123.53 50.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.2 tp -112.58 125.08 53.88 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -115.53 116.49 28.26 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.585 -0.279 . . . . 25.0 110.366 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.38 15.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.081 -0.387 . . . . 25.0 111.821 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.46 -13.61 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 122.261 -0.275 . . . . 25.0 111.719 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -89.65 -13.09 37.79 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.64 -50.34 4.31 Favored Glycine 0 C--O 1.236 0.241 0 N-CA-C 109.581 -1.408 . . . . 25.0 109.581 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 67.18 171.13 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.893 1.277 . . . . 25.0 108.241 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.86 -33.44 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 178.67 17.13 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 107.683 -2.167 . . . . 25.0 107.683 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.72 40.78 3.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.297 1.048 . . . . 25.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.92 4.4 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.496 -0.774 . . . . 25.0 114.735 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 58.55 27.98 16.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.81 84.71 Favored Glycine 0 N--CA 1.457 0.093 0 N-CA-C 117.624 1.81 . . . . 25.0 117.624 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -127.18 171.14 11.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.745 0.772 . . . . 25.0 109.514 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 37.6 28.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.784 0.834 . . . . 25.0 109.727 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.17 -9.45 32.9 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.294 0.878 . . . . 25.0 115.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -78.92 171.63 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.766 0.783 . . . . 25.0 110.62 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.05 171.78 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.92 152.87 48.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 p -109.46 145.65 15.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.6 t -143.52 149.45 37.48 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.78 136.53 53.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.2 p -120.88 122.01 39.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.923 -1.88 . . . . 25.0 105.923 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.16 -31.86 49.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.169 0.509 . . . . 25.0 110.665 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -69.74 -26.32 64.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.672 0.749 . . . . 25.0 109.546 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.55 -8.84 59.37 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.293 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.13 30.9 5.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.154 0.981 . . . . 25.0 112.594 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -132.69 158.75 41.54 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -134.69 116.34 14.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 102.563 -3.125 . . . . 25.0 102.563 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.49 149.34 24.94 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 112.226 -2.261 . . . . 25.0 109.775 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.78 127.69 42.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -157.62 168.97 25.75 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.9 t -119.68 154.27 34.32 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 102.905 -2.998 . . . . 25.0 102.905 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.04 2.48 2.35 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.6 -33.34 75.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.689 0.757 . . . . 25.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 44.2 p -133.39 138.6 46.36 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -122.71 -67.99 0.92 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.239 -1.346 . . . . 25.0 111.651 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.7 -29.66 16.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 15.7 mp0 -73.58 -26.56 60.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.208 -1.36 . . . . 25.0 110.094 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.75 73.44 0.22 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 108.25 -1.94 . . . . 25.0 108.25 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 125.6 24.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -119.79 165.99 13.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.67 -1.604 . . . . 25.0 110.011 -162.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.94 152.63 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.037 0.446 . . . . 25.0 112.176 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.03 127.74 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.49 161.84 36.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.5 t -144.37 148.1 34.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -136.29 132.87 36.3 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -80.09 113.52 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.97 179.54 19.75 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 106.62 -2.592 . . . . 25.0 106.62 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -120.56 32.23 6.09 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 14.15 0.08 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.521 1.304 . . . . 25.0 114.521 -175.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -28.91 62.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.05 -11.24 60.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.591 -0.731 . . . . 25.0 109.033 174.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.01 37.28 3.71 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.536 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.93 115.97 10.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.7 p -160.1 164.68 32.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.51 69.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.058 0.456 . . . . 25.0 110.612 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.59 -33.29 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.22 -0.3 . . . . 25.0 110.297 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.98 -40.21 39.98 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.0 mt -128.84 124.44 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.05 131.69 44.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -140.99 168.69 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.92 31.27 3.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.387 0.613 . . . . 25.0 111.505 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.83 149.63 35.97 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.6 0.51 8.04 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 114.93 1.089 . . . . 25.0 114.93 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.95 135.3 26.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 105.238 -2.134 . . . . 25.0 105.238 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.84 -178.82 3.72 Favored 'Trans proline' 0 C--O 1.243 0.749 0 N-CA-C 115.469 1.296 . . . . 25.0 115.469 -172.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 116.612 -1.661 . . . . 25.0 107.051 177.111 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.49 -15.85 42.24 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 116.165 -2.09 . . . . 25.0 113.697 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -41.25 60.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.662 0.268 . . . . 25.0 110.5 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.12 140.58 9.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.457 -1.312 . . . . 25.0 107.457 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.07 20.16 19.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.56 41.76 28.14 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.771 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -64.43 122.99 81.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.28 145.58 98.3 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 115.486 -2.543 . . . . 25.0 115.335 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.16 129.63 37.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.19 115.97 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 123.066 1.412 . . . . 25.0 107.829 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -138.06 2.96 Favored Glycine 0 C--N 1.313 -0.747 0 CA-C-N 112.791 -2.004 . . . . 25.0 110.577 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -122.57 166.68 14.43 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.463 -0.433 . . . . 25.0 110.518 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -86.05 2.19 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.416 0.627 . . . . 25.0 109.68 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.0 176.47 9.8 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.37 110.72 4.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.746 -1.575 . . . . 25.0 106.746 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -88.62 124.06 33.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.269 -1.011 . . . . 50.0 108.269 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -110.63 95.34 5.5 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.766 -3.05 . . . . 25.0 102.766 166.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.07 153.68 45.59 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -129.85 150.32 51.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.894 0.854 . . . . 25.0 111.393 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.69 -38.04 2.46 Favored Glycine 0 CA--C 1.496 -1.141 0 CA-C-N 114.106 -1.406 . . . . 25.0 111.593 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 p 47.27 -147.46 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.932 -1.134 . . . . 25.0 111.727 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.26 -10.7 7.33 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 116.493 2.034 . . . . 25.0 116.493 -170.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 140.06 57.17 Favored 'General case' 0 C--O 1.247 0.952 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.44 41.74 3.09 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -144.59 148.99 35.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.282 3.5 tp10 -140.74 154.06 46.16 Favored 'General case' 0 C--O 1.211 -0.927 0 C-N-CA 123.997 0.919 . . . . 75.0 113.453 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -96.54 139.11 20.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 113.859 -1.519 . . . . 25.0 111.125 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -115.82 149.05 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.4 76.32 0.09 OUTLIER Glycine 0 N--CA 1.463 0.495 0 C-N-CA 119.994 -1.098 . . . . 25.0 112.471 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.91 -78.06 0.02 OUTLIER Glycine 0 C--O 1.238 0.355 0 N-CA-C 119.327 2.491 . . . . 25.0 119.327 -167.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.34 -175.67 10.13 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-O 122.759 1.199 . . . . 25.0 113.602 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.52 165.96 4.86 Favored Glycine 0 C--N 1.31 -0.865 0 N-CA-C 116.78 1.472 . . . . 25.0 116.78 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.24 81.96 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.56 152.28 30.2 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.9 104.2 7.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -127.05 120.66 29.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 106.234 -1.765 . . . . 25.0 106.234 -170.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.35 136.31 50.65 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 106.349 -1.723 . . . . 25.0 106.349 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.68 -3.96 6.35 Favored Glycine 0 C--O 1.211 -1.315 0 CA-C-O 119.003 -0.887 . . . . 25.0 115.134 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 19.53 -99.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.642 2.46 . . . . 25.0 117.642 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.09 167.32 54.28 Favored Glycine 0 C--O 1.255 1.445 0 CA-C-O 122.605 1.114 . . . . 25.0 115.446 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.2 167.42 35.9 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.011 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.92 136.48 19.83 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 106.416 -2.673 . . . . 25.0 106.416 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -127.96 155.14 44.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.393 0.596 . . . . 50.0 109.934 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 48.4 mt -140.61 98.26 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.24 135.37 55.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 25.0 111.652 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 113.28 14.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.27 -1.752 . . . . 25.0 106.27 171.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.42 -19.53 76.28 Favored Glycine 0 C--O 1.236 0.255 0 N-CA-C 116.221 1.249 . . . . 25.0 116.221 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 72.86 -169.35 52.7 Favored Glycine 0 N--CA 1.421 -2.31 0 CA-C-O 124.834 2.352 . . . . 25.0 112.279 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.59 148.41 24.23 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 110.38 -2.91 . . . . 25.0 111.026 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.53 -176.19 27.39 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 113.586 -1.643 . . . . 25.0 114.524 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -97.38 104.29 16.3 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -111.88 154.81 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -118.23 107.26 13.7 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.2 102.0 8.65 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 111.476 0.176 . . . . 25.0 111.476 -172.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.4 137.53 38.7 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.409 -0.807 . . . . 25.0 109.774 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.02 -16.35 3.28 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.65 -130.76 35.21 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 125.857 2.92 . . . . 25.0 116.723 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.15 146.36 50.8 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 108.775 -3.712 . . . . 25.0 110.858 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.22 160.89 36.97 Favored Glycine 0 C--O 1.244 0.763 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.43 67.58 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.79 153.25 42.36 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.799 -1.546 . . . . 50.0 108.951 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 m -115.08 102.26 9.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -95.12 128.49 42.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -127.25 142.22 51.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.949 0.88 . . . . 25.0 112.207 -165.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -122.26 101.32 7.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.35 -1.295 . . . . 25.0 112.762 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.14 14.02 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 102.092 -3.299 . . . . 25.0 102.092 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.8 mt -86.25 76.13 9.75 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 113.307 -1.77 . . . . 25.0 112.406 -170.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -77.86 -73.72 0.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.006 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.15 -19.46 62.42 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.352 1.073 . . . . 25.0 108.388 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -75.5 -11.94 60.13 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 114.729 -1.123 . . . . 25.0 111.765 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 45.78 2.4 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.121 0.486 . . . . 25.0 110.363 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -102.45 163.51 12.19 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.251 0.548 . . . . 25.0 112.473 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -140.18 153.31 46.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -178.061 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -150.9 168.32 24.87 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.5 66.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.25 -5.62 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 25.0 111.981 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.53 150.86 5.29 Favored Glycine 0 C--N 1.316 -0.562 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.165 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.8 p -117.84 140.9 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.78 92.3 3.57 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -125.78 178.59 5.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.323 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -117.21 111.21 19.13 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.71 105.15 17.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -86.88 120.77 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.62 160.69 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.35 -0.219 . . . . 25.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.25 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 123.4 1.572 . . . . 25.0 114.238 -177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -149.05 36.32 0.76 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 113.264 -1.789 . . . . 25.0 114.875 -169.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.59 69.84 45.26 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 117.326 2.343 . . . . 25.0 117.326 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.66 21.89 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.818 0 N-CA-C 110.04 -0.792 . . . . 25.0 110.04 164.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p 58.76 8.29 0.91 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 25.0 114.233 -170.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -145.26 54.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.12 155.84 24.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 173.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -111.44 131.05 55.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.384 1.088 . . . . 25.0 113.523 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -121.92 132.82 54.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -119.06 118.76 32.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.624 -0.262 . . . . 25.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.7 13.49 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -68.85 -23.94 64.29 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.022 -0.424 . . . . 25.0 111.248 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.86 61.56 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.505 0.193 . . . . 25.0 111.455 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.78 -14.41 34.6 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.8 -50.92 4.48 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 t80 71.89 161.5 0.24 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.55 1.54 . . . . 25.0 109.089 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -117.09 -21.06 9.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.49 177.42 14.88 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.69 34.77 5.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.945 0.878 . . . . 25.0 110.904 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.35 57.44 3.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 59.36 27.02 16.01 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.759 1.763 . . . . 25.0 115.759 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.59 7.97 85.4 Favored Glycine 0 CA--C 1.513 -0.058 0 N-CA-C 117.768 1.867 . . . . 25.0 117.768 167.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -125.01 169.04 12.51 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.633 0.716 . . . . 25.0 109.512 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.99 37.87 26.72 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.915 0.886 . . . . 25.0 109.485 -173.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.05 -14.47 14.32 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.38 170.84 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.735 0.768 . . . . 25.0 110.603 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.18 171.82 7.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.45 152.77 45.96 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.37 142.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -145.12 145.23 31.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.6 128.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.8 p -120.94 125.23 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -75.36 -23.56 57.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.87 -26.76 66.18 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.68 0.752 . . . . 25.0 109.728 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.13 -10.05 46.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.289 -1.124 . . . . 25.0 110.289 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.08 32.17 9.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.152 0.981 . . . . 25.0 111.375 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -131.11 152.9 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.688 -0.687 . . . . 25.0 112.806 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -122.24 104.64 9.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -90.73 145.46 24.79 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 111.402 -2.635 . . . . 25.0 109.237 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.58 127.91 41.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -157.76 165.36 35.56 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.36 151.22 36.37 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.021 -3.326 . . . . 25.0 102.021 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.69 5.88 2.44 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 -176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.3 -33.49 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.536 0.684 . . . . 25.0 111.225 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.7 p -134.76 136.63 42.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 106.56 -1.644 . . . . 25.0 106.56 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -128.67 -73.37 0.58 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.124 -1.398 . . . . 25.0 110.346 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -29.02 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.3 mp0 -78.47 -22.93 46.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.275 -1.329 . . . . 25.0 111.203 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.04 81.25 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.527 -2.229 . . . . 25.0 107.527 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 118.63 8.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 123.205 1.478 . . . . 25.0 109.838 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -179.58 5.11 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 112.014 -2.357 . . . . 25.0 110.024 -164.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.3 156.3 17.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.54 132.2 19.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.8 m -138.7 163.51 27.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -148.18 146.53 28.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -132.05 133.68 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -79.18 116.04 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.03 179.61 19.17 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 106.687 -2.565 . . . . 25.0 106.687 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.7 32.36 6.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 16.47 0.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.1 64.77 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.895 -1.891 . . . . 25.0 105.895 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.58 -8.54 57.02 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.417 -0.811 . . . . 25.0 109.418 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.25 39.84 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.117 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.3 117.77 17.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.8 p -158.82 164.59 35.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.81 68.42 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.162 0.506 . . . . 25.0 110.814 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.9 -32.6 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.094 -0.379 . . . . 25.0 110.257 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -41.0 42.59 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.216 0.462 . . . . 25.0 111.866 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.9 mt -128.34 124.96 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.98 -0.45 . . . . 25.0 112.119 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 52.5 tp -94.75 130.75 41.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -147.79 168.65 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.43 29.89 2.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.573 0.701 . . . . 25.0 110.861 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.17 146.82 52.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.62 -6.19 18.3 Favored 'Trans proline' 0 C--N 1.352 0.724 0 N-CA-C 114.498 0.922 . . . . 25.0 114.498 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.61 138.59 32.78 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 104.521 -2.4 . . . . 25.0 104.521 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.17 178.51 4.75 Favored 'Trans proline' 0 C--O 1.245 0.839 0 N-CA-C 115.802 1.424 . . . . 25.0 115.802 -172.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.447 -1.739 . . . . 25.0 106.521 177.525 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 110.537 -0.171 . . . . 25.0 110.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.18 -15.32 42.58 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 116.138 -2.108 . . . . 25.0 113.817 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -41.01 60.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.548 0.213 . . . . 25.0 110.605 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.3 139.36 8.14 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.03 17.93 22.42 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.32 45.02 20.84 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.951 0.9 . . . . 25.0 110.669 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -63.25 134.98 96.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.499 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.23 131.36 38.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 116.051 -2.166 . . . . 25.0 112.7 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -82.13 127.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.91 113.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.785 1.278 . . . . 25.0 108.524 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.44 -136.32 2.85 Favored Glycine 0 C--N 1.317 -0.501 0 CA-C-N 113.429 -1.714 . . . . 25.0 109.943 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -132.04 169.58 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.135 -0.626 . . . . 25.0 110.675 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -88.28 3.96 47.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 25.0 109.49 173.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.18 176.33 9.58 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.597 -1.26 . . . . 25.0 107.597 170.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.03 111.09 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.63 121.74 37.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -112.88 95.07 5.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -135.76 153.9 51.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -127.53 150.29 49.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.795 0.807 . . . . 25.0 111.147 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.89 -37.73 2.68 Favored Glycine 0 CA--C 1.504 -0.652 0 CA-C-N 114.109 -1.405 . . . . 25.0 110.909 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.6 p 47.51 -148.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.082 -1.059 . . . . 25.0 111.679 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.24 -12.66 14.01 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -171.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 139.38 58.16 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.12 38.67 3.19 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.237 -1.145 . . . . 25.0 110.237 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -140.22 139.75 35.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.416 -2.439 . . . . 25.0 104.416 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 4.7 tp10 -140.83 154.08 46.05 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.373 2.36 . . . . 75.0 117.373 -167.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.4 mp -88.32 138.06 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 113.187 -1.824 . . . . 25.0 114.026 -165.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -114.17 149.73 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.58 69.95 0.08 OUTLIER Glycine 0 N--CA 1.465 0.572 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -32.25 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.459 0.221 0 N-CA-C 120.144 2.817 . . . . 25.0 120.144 -169.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.18 -176.07 10.31 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-O 122.626 1.125 . . . . 25.0 114.748 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.22 171.15 9.24 Favored Glycine 0 C--N 1.314 -0.671 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 83.39 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -78.88 153.12 30.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -130.25 103.97 7.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 169.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.88 118.27 25.11 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.81 136.2 50.22 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.62 -3.48 8.5 Favored Glycine 0 C--O 1.214 -1.11 0 CA-C-O 119.232 -0.76 . . . . 25.0 114.813 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 21.39 -105.75 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 118.045 2.609 . . . . 25.0 118.045 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.37 52.58 Favored Glycine 0 C--O 1.24 0.481 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.82 172.14 35.56 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-O 122.5 1.056 . . . . 25.0 112.228 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 134.31 15.21 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 107.943 -2.063 . . . . 25.0 107.943 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -127.19 151.67 48.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.754 0.777 . . . . 50.0 109.279 -171.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 76.3 mt -132.17 98.03 4.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 140.72 50.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -145.51 165.7 27.84 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.59 29.09 1.05 Allowed Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.305 -0.95 . . . . 25.0 112.855 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 23.41 -128.7 0.02 OUTLIER Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 118.413 2.125 . . . . 25.0 118.413 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 145.18 56.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 112.154 -2.023 . . . . 25.0 113.545 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.0 -171.81 23.96 Favored Glycine 0 C--N 1.316 -0.566 0 CA-C-N 113.517 -1.674 . . . . 25.0 116.619 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -100.38 110.59 22.81 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 102.405 -3.183 . . . . 25.0 102.405 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.04 158.57 26.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.851 -1.068 . . . . 50.0 112.896 -170.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -120.25 105.86 11.35 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.368 -1.716 . . . . 25.0 106.368 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -124.55 120.14 31.1 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.37 139.36 52.9 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.17 0.441 . . . . 25.0 111.856 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.84 -20.38 4.16 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 115.821 1.088 . . . . 25.0 115.821 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.91 43.59 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-O 125.649 2.805 . . . . 25.0 116.475 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 145.59 53.49 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 109.156 -3.522 . . . . 25.0 110.314 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.73 164.2 40.1 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.411 0.924 . . . . 25.0 115.411 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.68 67.9 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.21 154.55 39.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.762 -1.563 . . . . 50.0 109.013 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.3 m -113.08 108.84 17.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 25.0 110.216 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -85.15 135.73 33.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.829 -1.915 . . . . 25.0 105.829 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -119.97 125.57 48.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.546 0.689 . . . . 25.0 110.732 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -121.68 97.58 5.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.51 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.97 14.36 28.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.847 -2.279 . . . . 25.0 104.847 166.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 87.7 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.44 -1.255 . . . . 25.0 111.979 -171.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -83.89 -61.81 1.73 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.96 0.409 . . . . 25.0 110.913 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -67.37 -26.99 66.74 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.418 1.104 . . . . 25.0 109.96 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.93 -6.29 48.43 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.506 -1.225 . . . . 25.0 111.4 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -140.03 47.91 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 21.7 pt20 -102.21 164.32 11.75 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 -171.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.71 151.86 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.189 -0.914 . . . . 25.0 111.616 -177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.8 p -150.68 170.88 18.13 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.9 67.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.1 50.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.14 161.92 8.92 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.514 -0.766 . . . . 25.0 114.236 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -118.69 138.36 52.68 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.859 0.362 . . . . 25.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.82 92.4 3.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.946 -2.242 . . . . 25.0 104.946 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.6 p -125.39 166.66 16.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.64 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -94.83 117.34 29.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.239 0.543 . . . . 50.0 109.688 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.54 106.7 18.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.55 115.99 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.04 157.42 16.88 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.604 0.362 . . . . 25.0 110.207 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.8 78.74 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 123.284 1.516 . . . . 25.0 114.383 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.33 38.33 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.408 -1.723 . . . . 25.0 115.503 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.0 69.96 49.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.25 20.99 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 N-CA-C 110.177 -0.74 . . . . 25.0 110.177 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 58.78 7.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.54 1.536 . . . . 25.0 114.601 -171.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.97 54.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.24 155.44 22.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.028 -1.842 . . . . 50.0 106.028 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -111.16 134.85 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.329 1.061 . . . . 25.0 113.696 -175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.6 tp -126.85 131.53 51.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.53 116.65 28.53 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.697 0.284 . . . . 25.0 110.649 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.15 9.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -71.82 -15.69 62.15 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.189 -0.319 . . . . 25.0 111.332 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.12 -23.85 66.57 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.912 0.387 . . . . 25.0 110.872 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.26 -2.91 26.41 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.83 -39.51 2.73 Favored Glycine 0 C--N 1.319 -0.413 0 CA-C-N 113.906 -1.497 . . . . 25.0 111.868 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.6 t80 69.66 163.98 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.313 1.445 . . . . 25.0 108.573 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 p -114.3 -27.66 7.53 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.51 173.14 13.22 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 107.92 -2.072 . . . . 25.0 107.92 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -121.41 32.47 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.352 1.076 . . . . 25.0 110.391 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.6 59.38 3.35 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 116.179 1.232 . . . . 25.0 116.179 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 60.67 25.69 15.45 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.98 81.85 Favored Glycine 0 CA--C 1.512 -0.155 0 N-CA-C 118.153 2.021 . . . . 25.0 118.153 165.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -125.42 167.93 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.765 0.782 . . . . 25.0 109.452 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.48 38.88 28.27 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 25.0 109.644 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.81 -15.41 15.04 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.387 -0.824 . . . . 25.0 115.125 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -73.04 171.86 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.722 0.761 . . . . 25.0 110.593 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.76 170.3 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.22 152.86 40.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.98 144.16 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -145.65 152.22 39.29 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.21 133.31 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.19 40.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -79.34 -26.94 42.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.161 0.505 . . . . 25.0 111.097 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.59 -26.4 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 25.0 109.504 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.71 -9.19 53.28 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.742 -0.943 . . . . 25.0 110.742 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.1 33.47 12.21 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.156 0.982 . . . . 25.0 111.454 -176.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -132.16 151.93 51.54 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -122.0 104.82 9.78 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -88.32 143.31 27.09 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 111.301 -2.681 . . . . 25.0 109.412 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.91 127.65 42.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -157.7 164.52 37.05 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.1 t -117.78 148.76 41.76 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 102.26 -3.237 . . . . 25.0 102.26 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.79 4.7 3.33 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.35 0.595 . . . . 25.0 111.439 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.3 p -133.03 130.28 39.2 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -128.33 -75.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.909 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.51 62.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.3 mp0 -78.03 -22.23 49.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.381 -1.282 . . . . 25.0 111.239 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.48 79.61 0.06 OUTLIER Glycine 0 C--O 1.224 -0.501 0 N-CA-C 109.831 -1.308 . . . . 25.0 109.831 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 126.28 27.22 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.774 1.273 . . . . 25.0 110.749 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -179.79 5.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 112.447 -2.16 . . . . 25.0 110.365 -167.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 42.5 p90 -110.85 159.82 17.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.028 0.442 . . . . 25.0 110.574 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -142.61 139.14 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 -174.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.62 163.53 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.9 t -145.38 142.15 29.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.75 130.72 52.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.68 113.89 14.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.46 -179.98 19.79 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 106.87 -2.492 . . . . 25.0 106.87 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -121.32 34.43 5.2 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 17.96 0.06 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.139 0.971 . . . . 25.0 113.494 -175.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.39 66.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 170.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.53 -6.05 56.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.376 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.9 42.3 3.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.264 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.4 124.98 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -161.81 166.15 26.82 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.77 -29.66 67.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.204 0.526 . . . . 25.0 110.822 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.61 -31.42 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.88 -0.513 . . . . 25.0 109.829 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.55 -41.63 45.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.104 0.411 . . . . 25.0 111.772 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.25 124.49 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 121.564 -0.71 . . . . 25.0 112.261 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.68 128.76 37.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -142.59 168.61 19.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.422 -1.696 . . . . 25.0 106.422 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.73 31.64 3.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.396 0.617 . . . . 25.0 111.005 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.24 149.74 39.07 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.4 -13.09 30.31 Favored 'Trans proline' 0 C--N 1.352 0.74 0 N-CA-C 115.019 1.123 . . . . 25.0 115.019 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.03 124.72 35.69 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 105.428 -2.064 . . . . 25.0 105.428 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.79 -174.03 2.06 Favored 'Trans proline' 0 C--O 1.243 0.727 0 N-CA-C 115.184 1.186 . . . . 25.0 115.184 -172.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.175 -1.393 . . . . 25.0 107.66 171.793 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.456 -0.201 . . . . 25.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.25 -14.98 41.84 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 116.195 -2.07 . . . . 25.0 113.762 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -45.31 44.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.64 0.257 . . . . 25.0 110.648 175.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.0 151.38 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.672 -1.232 . . . . 25.0 107.672 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.36 19.45 12.75 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.28 44.42 24.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.883 0.873 . . . . 25.0 110.806 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -67.17 121.86 80.26 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.94 141.82 95.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 115.883 -2.278 . . . . 25.0 113.803 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mt -82.16 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -90.13 114.33 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-O 122.868 1.318 . . . . 25.0 107.525 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 -138.68 3.56 Favored Glycine 0 C--N 1.315 -0.632 0 CA-C-N 113.086 -1.87 . . . . 25.0 110.553 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -124.66 165.5 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.952 0.406 . . . . 25.0 110.492 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -86.04 2.07 47.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.39 0.614 . . . . 25.0 109.832 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.69 175.52 10.54 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 170.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.38 110.87 3.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.552 -1.647 . . . . 25.0 106.552 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -87.73 127.2 35.31 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 107.76 -1.2 . . . . 50.0 107.76 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -114.77 94.97 5.0 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 102.711 -3.07 . . . . 25.0 102.711 166.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.63 153.41 46.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -129.45 149.22 51.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 25.0 111.528 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.35 -40.04 1.99 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 114.035 -1.439 . . . . 25.0 111.385 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.0 p 45.25 -143.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.353 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.58 -11.45 7.17 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 138.32 58.0 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.26 44.3 3.35 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 109.682 -1.367 . . . . 25.0 109.682 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -149.85 153.85 37.42 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 103.828 -2.656 . . . . 25.0 103.828 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.1 tp10 -140.69 -179.9 6.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.842 0.353 . . . . 75.0 111.944 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.507 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.7 mp -116.01 139.33 43.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 25.0 112.657 -167.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.1 t -112.81 148.39 34.94 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.73 72.83 0.1 OUTLIER Glycine 0 N--CA 1.46 0.3 0 C-N-CA 120.217 -0.992 . . . . 25.0 112.368 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.94 -76.09 0.03 OUTLIER Glycine 0 C--O 1.238 0.378 0 N-CA-C 119.511 2.565 . . . . 25.0 119.511 -168.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.42 11.05 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-O 122.691 1.162 . . . . 25.0 114.011 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.59 165.43 4.66 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.57 81.6 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.59 150.93 32.65 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -129.11 104.1 7.36 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -127.24 121.2 30.55 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -111.11 136.05 50.72 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -6.52 3.58 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-O 119.11 -0.828 . . . . 25.0 115.097 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 16.47 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 118.708 2.855 . . . . 25.0 118.708 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.43 164.32 54.14 Favored Glycine 0 C--O 1.251 1.209 0 O-C-N 120.908 -1.12 . . . . 25.0 115.6 -175.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.96 167.77 33.62 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.33 133.34 12.69 Favored Glycine 0 C--N 1.314 -0.65 0 N-CA-C 107.071 -2.411 . . . . 25.0 107.071 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -126.7 153.6 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.355 0.578 . . . . 50.0 111.207 -169.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.17 98.48 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.65 133.08 53.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.543 0.942 . . . . 25.0 113.543 -171.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.36 117.79 22.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.69 -1.596 . . . . 25.0 106.69 172.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.37 -16.64 68.46 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.72 1.448 . . . . 25.0 116.72 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.35 -158.04 43.24 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-O 125.359 2.644 . . . . 25.0 113.056 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 148.55 32.61 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 109.439 -3.38 . . . . 25.0 112.104 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.34 -172.84 29.45 Favored Glycine 0 C--N 1.312 -0.755 0 CA-C-N 113.572 -1.649 . . . . 25.0 115.1 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -99.7 105.77 17.62 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -112.58 152.92 28.32 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 -170.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -118.87 109.21 15.75 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -120.88 107.04 12.23 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.353 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.74 142.69 33.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.231 -0.918 . . . . 25.0 110.507 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.07 -8.1 1.66 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.92 -125.79 1.84 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-O 125.146 2.525 . . . . 25.0 118.539 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.13 144.82 39.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 109.669 -3.266 . . . . 25.0 111.937 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.81 161.07 37.14 Favored Glycine 0 C--O 1.245 0.808 0 N-CA-C 115.662 1.025 . . . . 25.0 115.662 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.64 65.81 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.39 152.56 44.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.19 -1.368 . . . . 50.0 109.408 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.5 m -110.45 96.12 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.612 -0.885 . . . . 25.0 108.612 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -90.56 122.44 33.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 102.368 -3.197 . . . . 25.0 102.368 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.94 147.22 50.11 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 122.074 0.94 . . . . 25.0 112.094 -164.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.32 102.06 8.22 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.323 -1.308 . . . . 25.0 111.66 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.95 1.33 36.6 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 161.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.42 91.83 8.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.192 -1.367 . . . . 25.0 110.462 -176.112 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -85.93 -72.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.244 -0.889 . . . . 25.0 113.003 -173.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -70.52 -18.67 62.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.428 1.109 . . . . 25.0 108.179 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.24 -7.7 54.6 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 114.48 -1.236 . . . . 25.0 111.903 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 36.21 3.67 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.753 -0.658 . . . . 25.0 110.149 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.13 165.09 11.35 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.36 152.31 48.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -178.432 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.98 168.98 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.342 -1.725 . . . . 25.0 106.342 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.06 66.42 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.26 50.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.522 0.677 . . . . 25.0 112.009 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.15 152.8 5.7 Favored Glycine 0 C--N 1.316 -0.554 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.368 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.9 p -118.73 142.08 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -124.94 92.18 3.59 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 104.06 -2.57 . . . . 25.0 104.06 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -122.45 177.17 5.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.759 -0.655 . . . . 25.0 110.679 -170.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.44 112.51 18.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.17 105.39 17.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -85.55 122.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.44 159.91 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.62 79.91 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.059 1.409 . . . . 25.0 114.584 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.24 39.79 0.76 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -169.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.67 72.65 24.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 117.716 2.487 . . . . 25.0 117.716 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -87.73 22.76 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 110.324 -0.683 . . . . 25.0 110.324 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.63 7.96 1.16 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.665 1.586 . . . . 25.0 114.136 -171.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -146.12 55.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.49 155.95 23.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.858 -1.904 . . . . 50.0 105.858 174.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -111.24 125.13 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.175 0.988 . . . . 25.0 113.421 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 tp -114.43 125.05 53.39 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.063 -1.829 . . . . 25.0 106.063 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -116.1 119.53 36.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.792 -0.186 . . . . 25.0 110.67 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.41 13.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.1 p -66.01 -30.03 70.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.195 0.443 . . . . 25.0 112.195 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.91 61.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.58 -14.82 36.68 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.89 -50.78 4.22 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 109.131 -1.587 . . . . 25.0 109.131 -171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.6 t80 68.5 167.76 0.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.882 1.273 . . . . 25.0 109.037 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.3 p -121.16 -20.87 6.61 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 -174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.34 176.74 14.54 Favored Glycine 0 CA--C 1.507 -0.407 0 N-CA-C 108.864 -1.694 . . . . 25.0 108.864 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -125.44 34.72 4.88 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.15 0.975 . . . . 25.0 111.093 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.51 58.36 3.75 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.24 -0.891 . . . . 25.0 115.127 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 58.74 27.42 15.92 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.61 1.708 . . . . 25.0 115.61 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.89 9.78 83.96 Favored Glycine 0 CA--C 1.512 -0.123 0 N-CA-C 117.618 1.807 . . . . 25.0 117.618 168.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -126.2 168.88 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.737 0.769 . . . . 25.0 109.417 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.91 37.87 26.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.953 0.901 . . . . 25.0 109.588 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.3 -15.18 12.77 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.01 171.45 12.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.578 0.689 . . . . 25.0 110.303 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.14 171.79 7.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.17 152.79 44.01 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.696 -1.964 . . . . 25.0 105.696 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.89 142.58 24.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.786 -1.931 . . . . 25.0 105.786 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.6 t -144.88 150.65 37.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.17 132.8 63.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.39 122.22 40.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -78.81 -26.33 44.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.025 0.44 . . . . 25.0 111.133 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -68.37 -26.79 65.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.612 0.72 . . . . 25.0 109.524 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.69 52.24 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.52 -1.032 . . . . 25.0 110.52 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 32.33 10.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.236 1.015 . . . . 25.0 111.45 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -131.55 152.84 50.44 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -123.3 105.86 10.21 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.147 -2.538 . . . . 25.0 104.147 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.13 145.28 24.81 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 111.302 -2.681 . . . . 25.0 109.349 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.8 125.39 37.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -157.94 168.91 25.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -118.64 155.21 31.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 102.554 -3.128 . . . . 25.0 102.554 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.0 0.41 2.16 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 113.259 0.837 . . . . 25.0 113.259 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.95 -34.12 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.514 0.674 . . . . 25.0 110.873 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.1 p -133.16 133.64 43.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -127.95 -73.82 0.59 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.955 -1.475 . . . . 25.0 110.018 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.57 -28.87 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.18 -1.044 . . . . 25.0 108.18 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 21.6 mp0 -77.87 -21.05 51.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.207 -1.361 . . . . 25.0 111.08 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.74 82.33 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 107.909 -2.076 . . . . 25.0 107.909 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 118.01 7.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.959 1.361 . . . . 25.0 109.83 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -179.87 5.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.397 -2.183 . . . . 25.0 110.484 -166.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.69 157.76 16.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.766 -0.197 . . . . 25.0 111.443 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.01 129.76 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.06 164.18 25.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 106.816 -1.55 . . . . 25.0 106.816 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -134.33 131.66 38.6 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.82 114.01 17.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.26 -179.84 20.46 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.989 -2.444 . . . . 25.0 106.989 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.89 30.36 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 13.31 0.09 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.1 62.5 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 106.489 -1.671 . . . . 25.0 106.489 170.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.19 -11.84 60.4 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.505 -0.771 . . . . 25.0 108.923 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -114.34 37.53 3.34 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.766 -0.652 . . . . 25.0 109.435 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.51 115.19 9.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.8 p -159.85 164.68 33.42 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.2 69.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.106 0.479 . . . . 25.0 110.666 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.035 -0.415 . . . . 25.0 110.446 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -78.48 -37.63 42.91 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.06 127.47 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 112.816 0.672 . . . . 25.0 112.816 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.38 132.31 47.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.247 -1.39 . . . . 25.0 107.247 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.4 168.0 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.83 30.06 2.08 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.586 0.708 . . . . 25.0 110.844 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.27 148.33 47.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.37 -6.62 19.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 N-CA-C 114.559 0.946 . . . . 25.0 114.559 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.04 138.75 32.75 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 104.068 -2.567 . . . . 25.0 104.068 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.94 -179.42 3.42 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 117.241 -1.373 . . . . 25.0 115.43 -172.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 116.495 -1.717 . . . . 25.0 106.911 177.865 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 110.481 -0.192 . . . . 25.0 110.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.11 -14.28 40.38 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.016 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -51.51 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.124 -0.325 . . . . 25.0 110.124 175.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.37 156.96 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.246 -1.391 . . . . 25.0 107.246 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.75 25.52 6.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.01 38.54 30.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.557 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -63.5 123.8 82.3 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -62.14 148.01 94.0 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.025 -2.85 . . . . 25.0 114.652 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.6 131.82 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.57 114.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 123.143 1.449 . . . . 25.0 107.761 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.24 -137.29 2.55 Favored Glycine 0 C--N 1.314 -0.693 0 CA-C-N 112.693 -2.049 . . . . 25.0 110.094 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -127.56 164.57 21.68 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.375 -0.485 . . . . 25.0 109.804 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -85.82 2.53 45.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.441 0.639 . . . . 25.0 109.818 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.54 176.79 9.48 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 170.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.46 112.28 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.01 132.33 34.79 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -119.66 95.31 4.73 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 102.447 -3.168 . . . . 25.0 102.447 165.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -140.9 153.86 45.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -130.71 148.98 52.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.962 0.886 . . . . 25.0 111.886 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -40.88 1.8 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 113.88 -1.509 . . . . 25.0 111.005 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.3 p 46.04 -145.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.808 -1.196 . . . . 25.0 111.365 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.71 -8.53 4.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.792 2.145 . . . . 25.0 116.792 -170.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 137.73 58.14 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.49 45.96 3.59 Favored Glycine 0 C--O 1.224 -0.474 0 N-CA-C 110.407 -1.077 . . . . 25.0 110.407 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -151.39 157.33 42.27 Favored 'General case' 0 C--O 1.248 1.001 0 N-CA-C 104.305 -2.48 . . . . 25.0 104.305 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.68 -179.64 6.16 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -115.51 139.94 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 123.045 0.538 . . . . 25.0 111.322 -168.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 t -113.76 146.98 39.09 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.33 -1.73 . . . . 25.0 106.33 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.23 69.12 0.1 OUTLIER Glycine 0 N--CA 1.461 0.319 0 C-N-CA 120.036 -1.078 . . . . 25.0 112.359 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.09 -73.21 0.05 OUTLIER Glycine 0 C--O 1.238 0.356 0 N-CA-C 119.751 2.66 . . . . 25.0 119.751 -168.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.47 -176.69 11.83 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 122.659 1.144 . . . . 25.0 114.017 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.33 165.05 4.19 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 117.083 1.593 . . . . 25.0 117.083 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.04 81.18 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.43 151.18 31.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -169.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.62 104.86 7.9 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -126.56 123.29 37.38 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 104.782 -2.303 . . . . 25.0 104.782 -170.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -110.89 135.88 50.76 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.168 -1.79 . . . . 25.0 106.168 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.7 -9.69 2.21 Favored Glycine 0 C--O 1.21 -1.366 0 N-CA-C 115.496 0.958 . . . . 25.0 115.496 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 20.88 -101.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 118.008 2.595 . . . . 25.0 118.008 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.47 167.29 54.75 Favored Glycine 0 C--O 1.256 1.478 0 N-CA-C 115.879 1.111 . . . . 25.0 115.879 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.38 166.69 34.9 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 114.179 -1.01 . . . . 25.0 110.663 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.04 132.4 12.14 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.131 -2.388 . . . . 25.0 107.131 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -126.75 152.78 46.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.094 0.447 . . . . 50.0 111.138 -170.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -137.48 99.91 4.08 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.65 135.07 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.765 1.024 . . . . 25.0 113.765 -170.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.2 115.14 17.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 172.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -17.75 66.44 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 116.539 1.376 . . . . 25.0 116.539 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.17 -155.95 42.25 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.58 2.767 . . . . 25.0 113.765 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 148.6 35.29 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 109.16 -3.52 . . . . 25.0 112.086 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.22 -173.68 30.42 Favored Glycine 0 C--N 1.312 -0.765 0 CA-C-N 113.548 -1.66 . . . . 25.0 115.278 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -97.83 104.19 16.19 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 105.063 -2.199 . . . . 25.0 105.063 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -111.26 151.03 28.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.92 1.081 . . . . 50.0 113.92 -170.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -119.39 109.36 15.67 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.49 100.73 7.19 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 -171.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.29 145.36 24.51 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.215 -0.928 . . . . 25.0 110.584 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -5.29 1.31 Allowed Glycine 0 C--O 1.227 -0.328 0 N-CA-C 116.867 1.507 . . . . 25.0 116.867 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 32.45 -128.61 0.28 Allowed Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 119.989 2.756 . . . . 25.0 119.989 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.01 143.04 44.68 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 109.598 -3.301 . . . . 25.0 111.488 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.95 160.02 32.68 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 115.406 0.922 . . . . 25.0 115.406 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.13 67.67 8.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.594 -1.261 . . . . 25.0 107.594 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -70.54 158.35 36.27 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.743 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.3 m -115.8 107.13 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -100.58 123.54 44.93 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 102.71 -3.07 . . . . 25.0 102.71 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.47 144.26 50.62 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 121.806 0.812 . . . . 25.0 112.089 -165.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -120.37 101.99 8.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.533 -1.212 . . . . 25.0 112.317 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.43 2.86 39.82 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.465 -2.42 . . . . 25.0 104.465 162.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.59 93.44 9.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.118 -1.401 . . . . 25.0 110.679 -175.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -85.35 -72.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -71.29 -17.93 62.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.701 1.239 . . . . 25.0 107.665 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -75.04 -10.05 59.11 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 114.004 -1.453 . . . . 25.0 112.239 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.42 33.4 4.31 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.03 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.06 165.48 11.14 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.82 157.04 47.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.8 p -150.55 167.43 27.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.26 65.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -6.09 49.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 25.0 112.057 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.25 147.5 4.54 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.563 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.93 142.52 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.96 92.08 3.52 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 103.395 -2.817 . . . . 25.0 103.395 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -121.92 176.92 5.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.919 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.65 110.27 15.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.7 104.14 16.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -84.28 126.07 40.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.8 165.08 11.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 21.77 80.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.828 2.159 . . . . 25.0 116.828 -173.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.5 41.14 1.46 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.009 -1.45 . . . . 25.0 114.456 -170.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -138.6 71.19 44.51 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 117.528 2.418 . . . . 25.0 117.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -88.28 21.41 1.01 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 N-CA-C 110.058 -0.785 . . . . 25.0 110.058 164.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.1 6.29 0.67 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.739 1.616 . . . . 25.0 114.57 -170.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -145.46 53.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.86 155.46 20.78 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.602 -1.999 . . . . 50.0 105.602 174.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -111.05 129.68 55.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.236 1.017 . . . . 25.0 113.371 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 tp -120.04 133.24 55.59 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 174.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -122.22 117.41 26.1 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.242 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.12 13.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.0 p -67.46 -26.97 66.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.051 -0.405 . . . . 25.0 111.85 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.2 -15.39 62.46 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.657 0.265 . . . . 25.0 111.531 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.67 -11.3 40.18 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.04 -51.31 4.4 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 -171.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 t80 66.56 168.53 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.085 1.354 . . . . 25.0 109.987 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -119.07 -31.69 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.6 177.79 15.17 Favored Glycine 0 CA--C 1.509 -0.339 0 N-CA-C 108.871 -1.692 . . . . 25.0 108.871 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.36 36.6 4.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.07 0.938 . . . . 25.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.56 56.81 3.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.64 1.016 . . . . 25.0 115.64 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 59.73 26.2 15.29 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.881 1.808 . . . . 25.0 115.881 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.55 83.13 Favored Glycine 0 C--O 1.229 -0.177 0 N-CA-C 117.992 1.957 . . . . 25.0 117.992 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -123.8 167.64 13.79 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.818 0.809 . . . . 25.0 109.558 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.43 38.9 28.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.835 0.854 . . . . 25.0 109.783 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.77 -11.58 26.43 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.373 -0.831 . . . . 25.0 115.137 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.4 p -75.65 172.54 12.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.724 0.762 . . . . 25.0 110.504 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.08 168.57 9.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.03 152.84 39.35 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.43 140.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t -145.51 151.18 37.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.793 -1.929 . . . . 25.0 105.793 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.94 133.25 63.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.69 122.11 39.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.717 -1.957 . . . . 25.0 105.717 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -78.99 -23.35 44.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.723 -173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.85 -26.4 65.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.76 0.79 . . . . 25.0 109.397 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.36 -9.4 50.96 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.159 -1.176 . . . . 25.0 110.159 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.45 31.56 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.309 1.044 . . . . 25.0 111.351 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -130.25 149.13 52.08 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.2 t -118.1 103.9 10.32 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 103.841 -2.652 . . . . 25.0 103.841 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -88.19 140.61 29.3 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 111.163 -2.744 . . . . 25.0 109.252 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -127.87 122.43 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -157.82 167.0 31.25 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 t -114.3 153.51 29.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 103.69 -2.707 . . . . 25.0 103.69 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 3.24 2.65 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.3 -32.4 73.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.579 0.704 . . . . 25.0 110.581 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.7 p -135.14 139.85 44.95 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 104.697 -2.335 . . . . 25.0 104.697 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -113.05 -73.8 0.65 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.918 -1.037 . . . . 25.0 113.554 -174.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.74 -38.22 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.094 0.949 . . . . 25.0 108.693 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.679 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.4 mp0 -67.47 -30.53 70.26 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 113.973 -1.467 . . . . 25.0 110.429 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.42 64.34 0.54 Allowed Glycine 0 CA--C 1.501 -0.788 0 N-CA-C 106.66 -2.576 . . . . 25.0 106.66 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 119.82 10.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.339 1.066 . . . . 25.0 108.396 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.4 p -120.15 166.09 13.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.838 -1.983 . . . . 25.0 110.844 -160.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -64.56 148.55 50.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.34 125.6 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.683 -1.228 . . . . 25.0 107.683 171.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.66 165.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -145.55 148.69 33.46 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 tt -133.16 129.58 38.03 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.488 -1.301 . . . . 25.0 107.488 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -79.6 115.64 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.62 179.47 19.46 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 106.047 -2.821 . . . . 25.0 106.047 -174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.54 35.98 4.74 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 -176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 17.86 0.06 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 122.126 0.965 . . . . 25.0 113.415 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.71 64.97 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 170.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.31 -6.85 57.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.259 -0.882 . . . . 25.0 109.457 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.4 42.36 3.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.373 0.606 . . . . 25.0 110.265 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.65 124.55 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.6 p -162.39 165.91 25.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.57 67.72 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.092 0.472 . . . . 25.0 110.878 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.48 -31.55 65.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.998 -0.438 . . . . 25.0 109.976 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.84 -41.28 44.72 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.039 0.381 . . . . 25.0 111.773 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mt -128.96 124.91 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.772 -0.58 . . . . 25.0 112.545 -175.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.05 167.27 22.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.76 32.54 4.35 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.337 0.589 . . . . 25.0 111.319 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.25 149.28 42.45 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 107.052 -1.462 . . . . 25.0 107.052 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.32 -11.13 26.49 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.331 -1.313 . . . . 25.0 113.278 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.32 128.26 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.33 175.17 10.38 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.91 -0.927 . . . . 25.0 113.88 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 116.737 -1.602 . . . . 25.0 106.858 177.176 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.209 -0.424 . . . . 25.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.83 -19.0 67.49 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 114.806 -2.996 . . . . 25.0 115.427 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -74.15 -37.0 64.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.61 0.641 . . . . 25.0 110.949 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.87 138.0 7.87 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.103 0.561 . . . . 25.0 109.77 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.79 13.65 26.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.86 44.69 22.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.016 0.926 . . . . 25.0 110.563 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -64.37 116.65 30.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.252 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.31 144.73 98.71 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 115.003 -2.865 . . . . 25.0 115.027 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.32 131.92 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -85.33 114.04 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.033 1.397 . . . . 25.0 107.904 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.18 -136.31 1.91 Allowed Glycine 0 C--N 1.314 -0.665 0 CA-C-N 112.921 -1.945 . . . . 25.0 109.856 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -131.19 170.52 14.46 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.187 -0.596 . . . . 25.0 110.016 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -87.74 4.42 44.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.633 0.73 . . . . 25.0 109.299 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -80.19 175.65 10.46 Favored 'General case' 0 C--O 1.251 1.158 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 170.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -68.76 101.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 173.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.82 119.46 23.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -109.19 95.07 5.38 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 102.956 -2.979 . . . . 25.0 102.956 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -140.95 153.84 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -128.97 149.6 50.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.825 0.821 . . . . 25.0 111.202 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.82 -39.32 2.04 Favored Glycine 0 CA--C 1.5 -0.879 0 CA-C-N 114.06 -1.427 . . . . 25.0 111.338 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 p 48.22 -145.46 0.33 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.209 -0.995 . . . . 25.0 111.214 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.77 -7.16 6.99 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 138.38 58.25 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.3 3.12 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 110.525 -1.03 . . . . 25.0 110.525 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -152.26 149.56 28.84 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 104.795 -2.298 . . . . 25.0 104.795 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.308 2.2 tp10 -140.65 156.51 46.22 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.469 1.655 . . . . 75.0 115.469 -168.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.65 140.68 15.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.646 -1.161 . . . . 25.0 113.363 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -115.34 149.94 37.09 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 105.145 -2.168 . . . . 25.0 105.145 171.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.38 74.7 0.05 OUTLIER Glycine 0 N--CA 1.469 0.867 0 CA-C-N 119.674 1.125 . . . . 25.0 114.033 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.41 -74.13 0.07 OUTLIER Glycine 0 C--O 1.235 0.213 0 N-CA-C 120.632 3.013 . . . . 25.0 120.632 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.19 -176.07 10.33 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.498 1.055 . . . . 25.0 115.083 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.53 169.23 8.09 Favored Glycine 0 C--N 1.314 -0.67 0 N-CA-C 116.521 1.368 . . . . 25.0 116.521 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.7 81.8 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.89 148.76 38.04 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.17 104.35 7.01 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.161 -2.163 . . . . 25.0 105.161 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.49 120.43 28.3 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.22 136.27 50.55 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -3.86 4.36 Favored Glycine 0 C--O 1.212 -1.248 0 C-N-CA 120.169 -1.015 . . . . 25.0 114.7 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 16.58 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.84 167.03 54.67 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 116.108 1.203 . . . . 25.0 116.108 -174.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.33 163.52 26.19 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 117.845 0.823 . . . . 25.0 113.082 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.66 132.97 12.44 Favored Glycine 0 C--O 1.216 -1.006 0 N-CA-C 106.594 -2.602 . . . . 25.0 106.594 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -129.0 154.85 46.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.295 1.548 . . . . 50.0 110.794 -167.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.85 98.02 3.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.02 140.85 52.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.737 -0.665 . . . . 25.0 111.76 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.14 160.35 41.08 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.65 33.57 1.18 Allowed Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.144 -1.027 . . . . 25.0 113.888 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.95 -127.71 0.01 OUTLIER Glycine 0 C--O 1.238 0.357 0 N-CA-C 120.623 3.009 . . . . 25.0 120.623 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 146.53 52.9 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 112.157 -2.021 . . . . 25.0 112.649 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -172.06 24.68 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 113.647 -1.615 . . . . 25.0 115.886 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -101.92 110.51 22.5 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 103.39 -2.819 . . . . 25.0 103.39 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -119.29 155.84 31.07 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -122.77 107.01 11.43 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.59 109.45 15.26 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.56 143.45 33.7 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.4 -0.812 . . . . 25.0 110.09 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.48 -11.38 1.73 Allowed Glycine 0 C--O 1.222 -0.624 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.36 -128.98 7.11 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-O 125.745 2.858 . . . . 25.0 118.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -60.54 144.21 52.01 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 109.093 -3.554 . . . . 25.0 111.175 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.35 161.31 35.79 Favored Glycine 0 C--O 1.244 0.761 0 N-CA-C 115.669 1.028 . . . . 25.0 115.669 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.24 67.51 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.75 154.6 41.75 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.769 -1.559 . . . . 50.0 109.401 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -113.91 108.79 17.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 104.176 -2.528 . . . . 25.0 104.176 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -115.35 134.63 54.93 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.47 0.652 . . . . 25.0 111.485 -165.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -120.48 98.74 6.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.471 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.07 4.09 36.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.759 -2.311 . . . . 25.0 104.759 165.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.35 93.02 8.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.205 -1.361 . . . . 25.0 110.794 -175.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -84.41 -72.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.42 -19.36 62.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.795 1.283 . . . . 25.0 107.844 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -76.57 -9.19 58.48 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 114.081 -1.418 . . . . 25.0 112.235 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.16 33.29 4.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.769 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -101.99 165.43 11.18 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -136.66 156.3 48.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 178.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.51 167.45 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 171.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.27 64.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.66 -6.25 49.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.802 0.811 . . . . 25.0 111.992 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.48 147.14 4.46 Favored Glycine 0 C--N 1.316 -0.555 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.295 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.7 p -118.56 142.86 47.21 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -123.78 92.17 3.62 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 103.074 -2.935 . . . . 25.0 103.074 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 p -126.59 166.43 17.32 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.728 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.23 105.11 17.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.628 -1.249 . . . . 25.0 107.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.57 124.02 39.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 106.997 -1.482 . . . . 25.0 106.997 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.8 mt -101.87 165.74 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 22.31 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.57 42.91 1.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 115.545 1.683 . . . . 25.0 115.545 -170.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -140.29 71.41 33.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.942 2.571 . . . . 25.0 117.942 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.64 21.88 0.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 N-CA-C 110.135 -0.756 . . . . 25.0 110.135 163.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.3 3.91 0.42 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.855 1.662 . . . . 25.0 115.098 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -138.67 32.85 2.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.305 0.642 . . . . 25.0 110.901 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.21 155.14 20.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 50.0 106.962 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.31 131.08 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.202 1.001 . . . . 25.0 113.327 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 tp -121.71 130.48 53.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.13 111.64 19.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.13 14.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -67.78 -26.18 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.98 -0.45 . . . . 25.0 111.111 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.66 -17.32 62.85 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.665 0.269 . . . . 25.0 111.491 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 mt -89.85 -13.42 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.02 -51.14 4.51 Favored Glycine 0 C--O 1.236 0.22 0 N-CA-C 108.95 -1.66 . . . . 25.0 108.95 -170.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 67.26 168.89 0.25 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.216 1.406 . . . . 25.0 109.236 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -121.26 -23.37 5.75 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.97 179.88 16.11 Favored Glycine 0 CA--C 1.508 -0.382 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.76 38.42 4.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 122.096 0.95 . . . . 25.0 111.694 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.41 57.01 4.45 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.334 -0.848 . . . . 25.0 114.956 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 58.82 28.36 17.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.21 8.23 83.97 Favored Glycine 0 N--CA 1.458 0.102 0 N-CA-C 117.802 1.881 . . . . 25.0 117.802 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -125.72 168.61 13.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.775 0.788 . . . . 25.0 109.399 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.11 37.69 26.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.92 0.888 . . . . 25.0 109.493 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.51 -15.04 10.11 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 115.421 0.929 . . . . 25.0 115.421 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -72.79 171.91 11.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.608 0.704 . . . . 25.0 110.466 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.31 169.24 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.82 152.85 39.09 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.3 144.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.1 t -146.91 150.96 36.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.899 . . . . 25.0 105.871 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.78 131.79 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.99 122.28 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -76.54 -29.18 56.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.098 0.475 . . . . 25.0 111.28 -175.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -67.97 -26.7 66.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.414 0.626 . . . . 25.0 109.908 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.31 -9.89 52.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.691 -0.964 . . . . 25.0 110.691 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.25 33.29 12.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.131 0.972 . . . . 25.0 111.212 -175.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -132.43 155.95 47.57 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.481 -0.781 . . . . 25.0 112.775 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.5 t -128.42 109.43 11.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.421 -2.807 . . . . 25.0 103.421 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -93.95 142.55 27.25 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.882 -2.417 . . . . 25.0 109.288 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.36 124.03 29.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -157.56 168.07 28.35 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.1 t -115.59 153.44 31.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.09 4.81 2.28 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.92 -33.51 75.99 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.63 0.729 . . . . 25.0 110.945 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 33.0 p -135.11 140.74 45.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -111.13 -74.7 0.63 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.902 -1.044 . . . . 25.0 113.577 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.89 -37.7 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.673 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.51 -30.2 69.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.102 -1.408 . . . . 25.0 110.482 -174.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.35 64.08 0.54 Allowed Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 106.889 -2.484 . . . . 25.0 106.889 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 119.96 11.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.43 1.109 . . . . 25.0 108.357 -177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.4 p -122.55 165.35 16.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 112.802 -1.999 . . . . 25.0 110.899 -160.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.73 147.61 45.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.67 127.41 18.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 171.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.03 165.87 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -144.65 147.34 32.96 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -132.86 130.58 39.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -80.29 112.12 17.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.04 179.48 23.15 Favored Glycine 0 N--CA 1.436 -1.329 0 N-CA-C 106.614 -2.594 . . . . 25.0 106.614 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.84 32.04 6.25 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 17.03 0.07 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.31 65.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.77 -8.14 56.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.47 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.71 41.75 3.4 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.115 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.29 119.59 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.5 p -161.23 165.36 29.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.47 67.68 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.03 0.443 . . . . 25.0 110.764 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -72.15 -31.48 66.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.039 -0.413 . . . . 25.0 110.108 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.1 0.409 . . . . 25.0 111.728 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -128.11 122.21 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.754 -0.591 . . . . 25.0 112.269 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.4 tp -92.9 131.05 38.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -140.73 169.1 18.27 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.89 30.43 3.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.495 0.664 . . . . 25.0 110.884 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.99 150.18 36.94 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.53 -5.91 18.05 Favored 'Trans proline' 0 C--N 1.352 0.753 0 N-CA-C 114.497 0.922 . . . . 25.0 114.497 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.58 133.53 24.27 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.22 -176.24 2.59 Favored 'Trans proline' 0 C--O 1.243 0.756 0 N-CA-C 115.573 1.336 . . . . 25.0 115.573 -172.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 116.457 -1.735 . . . . 25.0 107.16 177.351 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.554 -0.165 . . . . 25.0 110.554 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.29 -16.02 43.24 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 116.043 -2.171 . . . . 25.0 113.561 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -40.73 61.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.506 0.193 . . . . 25.0 110.906 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.88 142.46 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -114.5 20.22 15.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.67 44.61 26.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.985 0.914 . . . . 25.0 110.92 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -63.87 117.39 35.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.49 141.9 96.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 115.584 -2.477 . . . . 25.0 114.812 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mt -82.1 133.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.32 112.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 122.77 1.271 . . . . 25.0 107.769 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.65 -136.95 3.11 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.414 -1.721 . . . . 25.0 110.54 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -130.93 166.39 21.04 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.35 -0.5 . . . . 25.0 110.301 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.96 3.54 45.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 25.0 109.915 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.25 174.02 11.99 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.46 101.33 1.22 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -81.52 120.71 25.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -108.77 94.88 5.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 102.85 -3.018 . . . . 25.0 102.85 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -140.94 153.43 45.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.9 148.25 49.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.342 0.592 . . . . 25.0 111.401 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.43 -39.43 1.78 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 109.552 -1.419 . . . . 25.0 109.552 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p 48.38 -147.87 0.24 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.115 -1.043 . . . . 25.0 111.364 -176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.94 -6.71 9.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.279 1.955 . . . . 25.0 116.279 -169.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.13 58.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 173.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.67 44.76 3.0 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.369 -1.093 . . . . 25.0 110.369 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -148.65 147.43 28.92 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 2.8 tp10 -140.94 153.99 45.88 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 115.877 1.806 . . . . 75.0 115.877 -174.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.11 137.79 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 125.484 1.514 . . . . 25.0 111.368 -165.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -105.33 148.36 27.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 68.09 0.08 OUTLIER Glycine 0 N--CA 1.466 0.648 0 C-N-CA 119.964 -1.112 . . . . 25.0 114.238 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -29.79 -75.61 0.03 OUTLIER Glycine 0 C--O 1.238 0.383 0 N-CA-C 120.102 2.801 . . . . 25.0 120.102 -168.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.62 -177.77 11.41 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 122.74 1.189 . . . . 25.0 114.41 -173.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.67 164.83 4.45 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.65 81.18 5.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -77.35 150.28 35.18 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -170.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -129.37 104.05 7.27 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -124.86 119.39 28.71 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 -170.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -106.42 135.98 46.97 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.16 -4.3 3.3 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 120.775 -0.726 . . . . 25.0 114.056 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 17.26 -103.76 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.652 3.205 . . . . 25.0 119.652 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.6 171.12 53.5 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 116.17 1.228 . . . . 25.0 116.17 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.79 164.59 33.83 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.377 -0.689 . . . . 25.0 111.377 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.32 131.76 10.77 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 106.959 -2.456 . . . . 25.0 106.959 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -127.33 155.21 43.93 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.556 0.678 . . . . 50.0 110.58 -165.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 28.0 mt -138.45 97.84 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -125.1 134.46 52.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.015 0.436 . . . . 25.0 111.501 -169.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -128.91 123.23 32.07 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.54 -20.5 58.32 Favored Glycine 0 C--O 1.229 -0.208 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.416 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 63.05 -155.47 42.6 Favored Glycine 0 N--CA 1.425 -2.099 0 CA-C-O 125.222 2.568 . . . . 25.0 112.812 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 147.49 35.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 109.595 -3.302 . . . . 25.0 112.502 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.05 -172.61 30.95 Favored Glycine 0 C--N 1.314 -0.667 0 CA-C-N 113.512 -1.677 . . . . 25.0 115.502 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.32 106.59 18.89 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -113.3 153.55 28.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.967 -1.015 . . . . 50.0 113.646 -171.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -119.98 109.41 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -121.17 101.64 7.79 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.28 144.39 27.12 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.234 -0.916 . . . . 25.0 110.959 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.21 8.0 1.88 Allowed Glycine 0 N--CA 1.464 0.533 0 N-CA-C 117.613 1.805 . . . . 25.0 117.613 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 21.4 -123.61 0.01 OUTLIER Glycine 0 C--O 1.241 0.551 0 N-CA-C 121.006 3.162 . . . . 25.0 121.006 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.45 145.27 48.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 111.07 -2.565 . . . . 25.0 110.52 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.56 156.58 28.61 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 114.485 0.554 . . . . 25.0 114.485 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 71.37 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.962 -1.866 . . . . 25.0 105.962 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.6 159.38 33.18 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.415 -1.72 . . . . 50.0 110.328 -174.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -114.98 96.59 5.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -89.0 123.06 32.97 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 103.295 -2.854 . . . . 25.0 103.295 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -115.63 139.23 50.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.862 0.839 . . . . 25.0 112.096 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -122.72 102.12 7.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.937 -1.028 . . . . 25.0 111.498 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.27 3.5 35.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 163.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 90.35 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.147 -1.388 . . . . 25.0 112.123 -173.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -82.36 -71.28 0.49 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -67.35 -22.26 65.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.692 1.234 . . . . 25.0 108.867 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -76.59 -7.45 55.24 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 114.263 -1.335 . . . . 25.0 112.104 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -134.55 36.66 3.14 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.742 -0.663 . . . . 25.0 110.072 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -102.06 166.05 10.83 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.49 153.03 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.702 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.3 p -150.92 167.97 25.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.67 -25.52 65.74 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.95 50.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 25.0 111.871 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.08 150.21 5.14 Favored Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.2 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -116.92 138.53 51.47 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -124.71 92.07 3.57 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -124.47 175.56 7.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.659 -0.7 . . . . 25.0 110.344 -170.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -119.49 111.89 18.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.08 104.58 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.0 mt -85.43 121.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.514 . . . . 25.0 106.914 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.59 158.83 15.8 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.57 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 122.993 1.377 . . . . 25.0 114.23 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -149.78 42.29 0.87 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.224 1.565 . . . . 25.0 115.224 -169.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 70.1 41.47 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.192 2.293 . . . . 25.0 117.192 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.6 21.31 1.09 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 N-CA-C 110.241 -0.715 . . . . 25.0 110.241 166.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.57 5.83 0.51 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.749 1.62 . . . . 25.0 115.248 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -139.7 29.49 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.243 0.617 . . . . 25.0 111.342 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.67 155.65 21.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 175.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -111.63 123.13 49.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.384 1.088 . . . . 25.0 111.502 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -106.69 115.3 29.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.176 -1.787 . . . . 25.0 106.176 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.09 113.41 26.63 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.966 -0.459 . . . . 25.0 110.648 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.42 14.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.27 -29.04 68.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.933 -0.48 . . . . 25.0 111.013 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.06 -15.59 62.02 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.4 -17.28 37.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.23 -50.41 4.25 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 108.557 -1.817 . . . . 25.0 108.557 -168.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 t80 66.43 170.73 0.24 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.9 1.28 . . . . 25.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.8 p -118.24 -35.03 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.74 18.9 Favored Glycine 0 CA--C 1.507 -0.441 0 N-CA-C 110.37 -1.092 . . . . 25.0 110.37 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.56 130.34 56.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.07 43.54 0.2 Allowed Glycine 0 C--O 1.221 -0.697 0 C-N-CA 120.83 -0.7 . . . . 25.0 111.789 -175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 58.89 26.04 14.4 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.47 8.18 83.6 Favored Glycine 0 C--N 1.328 0.11 0 N-CA-C 117.373 1.709 . . . . 25.0 117.373 169.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -123.57 169.52 11.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.999 0.9 . . . . 25.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.6 36.67 27.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.902 0.881 . . . . 25.0 109.621 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.15 -14.52 7.95 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.8 p -73.45 172.09 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.661 0.73 . . . . 25.0 110.542 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -104.04 168.53 9.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.532 0.682 . . . . 25.0 109.979 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.11 152.85 38.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.1 140.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -146.56 136.58 23.46 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.82 126.94 72.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 p -120.83 127.41 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.84 -19.81 58.62 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -66.8 -26.97 67.2 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.653 0.739 . . . . 25.0 109.961 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.54 -8.7 34.69 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.184 -1.166 . . . . 25.0 110.184 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 51.54 35.11 13.73 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.115 0.966 . . . . 25.0 110.569 -175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -128.56 147.27 50.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.36 -0.837 . . . . 25.0 112.979 -173.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.2 t -116.7 101.62 8.73 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -88.07 145.92 25.72 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 111.654 -2.521 . . . . 25.0 108.89 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.06 127.94 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -157.99 168.03 28.27 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 t -118.96 151.89 37.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 102.372 -3.195 . . . . 25.0 102.372 175.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.91 6.51 2.0 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.72 -32.92 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.556 0.693 . . . . 25.0 111.057 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.5 p -133.79 139.52 46.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.18 -75.96 0.58 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.952 -1.476 . . . . 25.0 110.617 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.36 -29.13 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.4 mp0 -76.56 -24.23 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.203 -1.362 . . . . 25.0 110.545 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.79 77.75 0.11 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.161 -1.575 . . . . 25.0 109.161 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 125.02 23.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.8 p -123.17 165.97 15.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.464 -1.698 . . . . 25.0 111.53 -160.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.14 147.31 40.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -144.69 126.83 15.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.91 164.36 25.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -146.28 145.17 30.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.33 132.33 41.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.86 113.24 18.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.33 179.41 26.09 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 106.5 -2.64 . . . . 25.0 106.5 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -120.98 30.22 6.97 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 16.76 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.69 66.49 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.103 -1.814 . . . . 25.0 106.103 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.08 -7.35 56.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.331 -0.85 . . . . 25.0 109.478 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.25 41.73 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.21 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.17 121.05 23.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.5 p -160.78 165.79 29.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.5 67.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.22 0.533 . . . . 25.0 111.105 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.25 -32.86 64.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.946 -0.471 . . . . 25.0 109.952 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.26 -38.84 50.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.3 mt -129.67 123.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 121.742 -0.599 . . . . 25.0 111.432 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -95.41 128.46 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -140.5 168.48 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.81 31.56 3.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.306 0.574 . . . . 25.0 111.125 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.12 151.38 37.37 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.64 -0.93 9.56 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.73 135.28 27.24 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 106.014 -1.847 . . . . 25.0 106.014 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.83 -176.97 2.59 Favored 'Trans proline' 0 C--O 1.241 0.653 0 N-CA-C 115.273 1.22 . . . . 25.0 115.273 -174.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.029 -1.462 . . . . 25.0 107.981 178.517 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 110.54 -0.17 . . . . 25.0 110.54 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.1 -13.17 37.36 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 116.736 -1.709 . . . . 25.0 114.146 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -53.84 9.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 174.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.94 156.83 22.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.291 -1.374 . . . . 25.0 107.291 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.44 23.31 5.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.33 42.93 27.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.535 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -70.4 120.38 78.2 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.68 144.53 94.2 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 114.645 -3.103 . . . . 25.0 115.662 -174.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.11 131.74 33.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 105.858 -1.905 . . . . 25.0 105.858 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -88.13 115.32 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-O 123.018 1.39 . . . . 25.0 107.358 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.09 -139.09 3.43 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 112.973 -1.921 . . . . 25.0 110.504 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -119.42 162.95 17.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.044 0.45 . . . . 25.0 110.505 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -86.48 3.02 45.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 25.0 109.828 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.83 177.18 9.02 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 170.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.55 111.31 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -88.61 124.34 33.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -111.92 95.19 5.34 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 102.592 -3.114 . . . . 25.0 102.592 165.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.1 mt -140.95 153.83 45.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -129.88 150.21 51.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.951 0.881 . . . . 25.0 111.339 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.432 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.92 -38.92 2.25 Favored Glycine 0 CA--C 1.494 -1.259 0 CA-C-N 113.944 -1.48 . . . . 25.0 111.428 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 p 46.75 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.697 -1.251 . . . . 25.0 111.566 -176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.27 -10.51 11.15 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 137.81 58.07 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 175.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.41 3.17 Favored Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.567 -1.013 . . . . 25.0 110.567 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -148.01 151.37 35.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 3.5 tp10 -141.11 153.98 45.69 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 113.536 0.939 . . . . 75.0 113.536 -174.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.407 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -97.49 137.18 25.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.888 -1.506 . . . . 25.0 110.429 -163.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 t -111.92 147.45 35.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.44 73.8 0.12 Allowed Glycine 0 C--N 1.318 -0.447 0 C-N-CA 119.872 -1.156 . . . . 25.0 112.685 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.37 -76.06 0.03 OUTLIER Glycine 0 C--O 1.236 0.279 0 N-CA-C 119.475 2.55 . . . . 25.0 119.475 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.67 -176.07 11.38 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-O 122.642 1.135 . . . . 25.0 113.867 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.35 165.07 4.22 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 116.984 1.553 . . . . 25.0 116.984 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 81.6 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -78.85 152.89 31.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -130.34 104.11 7.08 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.81 121.26 31.4 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 -170.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.59 136.33 50.93 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.57 -5.41 5.01 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-O 118.907 -0.941 . . . . 25.0 115.059 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 19.62 -98.86 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.22 166.98 54.03 Favored Glycine 0 C--O 1.256 1.479 0 CA-C-O 122.901 1.278 . . . . 25.0 115.427 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.79 167.5 35.08 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 113.801 -1.2 . . . . 25.0 110.737 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.48 136.34 19.96 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 106.797 -2.521 . . . . 25.0 106.797 170.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -127.87 155.74 43.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.194 0.497 . . . . 50.0 110.096 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 2.6 mt -143.97 98.13 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.65 133.11 55.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -168.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' CG ' ' HE ' ' A' ' 64' ' ' ARG . 2.6 m-20 -118.61 118.36 31.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 171.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.23 -23.22 52.39 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.16 -158.29 38.62 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-O 125.586 2.77 . . . . 25.0 114.221 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.59 149.03 36.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 109.283 -3.459 . . . . 25.0 111.8 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.21 -173.75 29.2 Favored Glycine 0 C--N 1.312 -0.797 0 CA-C-N 113.575 -1.648 . . . . 25.0 115.043 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -98.28 104.05 16.05 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.015 -2.217 . . . . 25.0 105.015 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -112.16 147.45 36.12 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -113.69 109.52 18.72 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.1 mt -120.68 103.03 8.8 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 119.825 -0.131 . . . . 25.0 111.087 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.79 139.38 36.56 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.381 -0.824 . . . . 25.0 109.953 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.52 -16.88 2.46 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.951 1.54 . . . . 25.0 116.951 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.84 -133.49 36.11 Favored Glycine 0 N--CA 1.433 -1.522 0 CA-C-O 126.199 3.11 . . . . 25.0 117.168 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.96 145.62 52.4 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 108.322 -3.939 . . . . 25.0 110.753 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.44 162.05 36.08 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.456 0.942 . . . . 25.0 115.456 174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.98 67.1 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -68.16 153.02 44.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.856 -1.52 . . . . 50.0 109.603 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -112.57 105.54 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -99.59 121.0 40.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 102.951 -2.981 . . . . 25.0 102.951 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HE ' ' CG ' ' A' ' 46' ' ' ASP . 39.2 ptt180 -118.62 145.41 45.45 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.834 0.826 . . . . 25.0 112.084 -166.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -122.47 100.54 6.99 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.43 -1.259 . . . . 25.0 111.214 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.32 1.5 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.078 -2.564 . . . . 25.0 104.078 161.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.66 90.32 8.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.179 -1.373 . . . . 25.0 110.869 -175.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -86.83 -72.0 0.53 Allowed 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.13 -17.81 63.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.522 1.154 . . . . 25.0 108.234 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -74.42 -7.06 51.68 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-N 114.457 -1.247 . . . . 25.0 111.881 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -131.6 35.43 3.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.337 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.0 164.5 11.68 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.07 151.46 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.85 171.22 17.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.74 66.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.98 -6.79 54.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.706 0.765 . . . . 25.0 112.023 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.42 151.36 5.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.841 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 p -118.83 140.21 50.33 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 122.285 -0.538 . . . . 25.0 109.967 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -123.29 92.11 3.62 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 102.851 -3.018 . . . . 25.0 102.851 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -123.73 177.81 5.53 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.164 -169.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.1 124.99 45.21 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -107.37 104.44 14.03 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -87.23 119.78 35.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -101.7 159.65 15.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.83 80.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.98 43.86 0.98 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -142.93 72.91 18.79 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 118.411 2.745 . . . . 25.0 118.411 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -88.12 22.17 0.92 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 N-CA-C 110.438 -0.639 . . . . 25.0 110.438 164.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.71 6.12 0.81 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.77 1.628 . . . . 25.0 114.525 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -145.32 54.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 154.77 21.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 174.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -111.21 128.95 56.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.39 1.091 . . . . 25.0 113.421 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.09 131.09 54.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.51 115.24 23.05 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.176 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.4 14.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.6 p -66.83 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.014 -0.429 . . . . 25.0 111.578 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.75 -14.26 61.95 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.77 0.285 . . . . 25.0 111.77 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.1 -14.19 39.46 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.11 -51.39 4.4 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 108.818 -1.713 . . . . 25.0 108.818 -169.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 66.24 170.15 0.23 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.928 1.291 . . . . 25.0 109.192 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.5 p -121.2 -32.78 3.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.6 178.05 15.66 Favored Glycine 0 CA--C 1.508 -0.365 0 N-CA-C 108.423 -1.871 . . . . 25.0 108.423 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -122.44 36.33 4.66 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.956 0.884 . . . . 25.0 111.584 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.99 56.46 3.93 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.644 1.018 . . . . 25.0 115.644 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 59.32 26.69 15.58 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.85 7.01 84.63 Favored Glycine 0 CA--C 1.512 -0.102 0 N-CA-C 117.855 1.902 . . . . 25.0 117.855 167.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -123.79 168.68 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.719 0.759 . . . . 25.0 109.557 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.64 37.78 27.51 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.82 0.848 . . . . 25.0 109.661 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.96 -10.45 26.27 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -76.86 172.33 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.778 0.789 . . . . 25.0 110.263 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.44 168.21 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.55 152.87 37.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.8 p -115.88 140.67 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -144.36 134.44 24.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 126.28 71.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 p -120.68 129.89 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 -25.5 59.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -68.83 -25.78 64.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.622 0.725 . . . . 25.0 110.029 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.48 -14.4 38.2 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.83 33.56 14.54 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.243 1.021 . . . . 25.0 110.184 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -131.83 151.33 51.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.543 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -120.86 102.81 8.61 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -88.3 142.14 27.98 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 111.888 -2.415 . . . . 25.0 109.058 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.48 122.7 26.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -157.79 167.26 30.55 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 t -117.53 149.98 39.71 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.974 -2.973 . . . . 25.0 102.974 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.87 4.7 2.56 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.73 -34.1 77.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 111.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.0 p -135.41 138.63 43.46 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -126.29 -63.93 1.07 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.305 -1.316 . . . . 25.0 111.361 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.84 -28.76 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 17.6 mp0 -77.0 -24.13 52.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.11 -1.405 . . . . 25.0 110.458 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.8 80.44 0.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 106.231 -2.748 . . . . 25.0 106.231 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 118.94 9.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 122.955 1.36 . . . . 25.0 109.144 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -179.37 5.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 112.211 -2.268 . . . . 25.0 110.148 -164.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -104.92 154.91 19.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.573 0.225 . . . . 25.0 110.977 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.82 129.33 16.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.695 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.86 164.02 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 93.0 p -146.67 152.7 39.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.54 133.62 38.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.87 111.93 18.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.0 177.8 24.34 Favored Glycine 0 N--CA 1.438 -1.207 0 N-CA-C 106.764 -2.534 . . . . 25.0 106.764 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.29 28.72 8.05 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 15.85 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.9 -29.35 63.08 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.13 -8.86 57.75 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.177 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.83 39.12 3.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.923 -0.581 . . . . 25.0 109.967 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.03 117.82 16.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.1 p -160.12 164.77 32.72 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.198 0.523 . . . . 25.0 110.852 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.35 -33.36 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.131 -0.356 . . . . 25.0 110.235 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.79 -41.46 37.24 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.267 0.469 . . . . 25.0 112.267 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.44 123.73 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.858 -0.526 . . . . 25.0 112.304 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.76 132.08 42.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -140.95 168.58 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.3 31.55 3.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 111.41 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.78 149.96 36.61 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.71 0.65 7.92 Favored 'Trans proline' 0 C--N 1.353 0.796 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.97 134.33 25.6 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 105.13 -2.174 . . . . 25.0 105.13 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.99 -178.28 3.44 Favored 'Trans proline' 0 C--O 1.243 0.743 0 N-CA-C 115.355 1.252 . . . . 25.0 115.355 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 116.593 -1.67 . . . . 25.0 106.618 176.969 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.23 -13.55 38.17 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 116.316 -1.99 . . . . 25.0 114.026 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -52.4 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 25.0 110.345 175.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.78 157.44 26.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.24 27.9 5.56 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.503 -0.555 . . . . 25.0 109.503 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.44 38.85 30.04 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.827 0.851 . . . . 25.0 111.087 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -67.28 120.8 75.16 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -63.42 149.19 91.78 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 115.293 -2.671 . . . . 25.0 115.118 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.34 129.61 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.87 -1.9 . . . . 25.0 105.87 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.93 110.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 122.787 1.279 . . . . 25.0 108.078 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.77 -139.37 3.36 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 113.322 -1.763 . . . . 25.0 110.091 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -122.63 166.0 15.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.92 0.391 . . . . 25.0 110.258 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -85.98 2.4 46.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 25.0 109.636 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.72 175.95 10.23 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.21 112.48 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.742 -1.577 . . . . 25.0 106.742 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -89.7 136.27 33.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.2 95.08 4.55 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 102.533 -3.136 . . . . 25.0 102.533 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 mt -140.76 153.95 46.08 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -174.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -131.81 149.83 52.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.825 0.822 . . . . 25.0 111.786 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.15 -41.02 1.86 Allowed Glycine 0 CA--C 1.497 -1.053 0 CA-C-N 113.929 -1.487 . . . . 25.0 110.723 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.7 p 44.99 -145.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.849 -1.175 . . . . 25.0 111.399 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.57 -11.44 11.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -170.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.31 140.47 57.98 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.53 48.01 3.95 Favored Glycine 0 C--O 1.222 -0.611 0 N-CA-C 110.294 -1.122 . . . . 25.0 110.294 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 157.88 43.75 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.2 tp10 -140.9 -179.59 6.15 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.027 0.751 . . . . 75.0 113.027 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.542 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 23.7 mm -109.12 136.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.286 0.634 . . . . 25.0 111.393 -167.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -117.28 153.63 32.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 171.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.9 71.41 0.05 OUTLIER Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.108 -1.044 . . . . 25.0 112.285 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -74.83 0.04 OUTLIER Glycine 0 C--O 1.237 0.289 0 N-CA-C 119.426 2.53 . . . . 25.0 119.426 -168.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.02 11.05 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-O 122.647 1.137 . . . . 25.0 113.884 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.7 164.05 4.14 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.98 1.552 . . . . 25.0 116.98 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.85 81.3 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -79.8 151.04 30.52 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.675 0.991 . . . . 50.0 113.675 -170.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -127.38 106.28 9.1 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 105.094 -2.187 . . . . 25.0 105.094 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.63 123.9 36.71 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -111.8 136.13 51.49 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.34 -11.05 1.38 Allowed Glycine 0 C--O 1.211 -1.295 0 N-CA-C 115.48 0.952 . . . . 25.0 115.48 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 19.09 -96.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.275 2.695 . . . . 25.0 118.275 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.93 167.77 54.53 Favored Glycine 0 C--O 1.257 1.587 0 CA-C-O 122.533 1.074 . . . . 25.0 115.625 -174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.53 166.05 34.03 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.196 -1.002 . . . . 25.0 110.675 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.27 132.19 11.88 Favored Glycine 0 C--N 1.317 -0.485 0 N-CA-C 106.887 -2.485 . . . . 25.0 106.887 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -127.1 156.17 42.15 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.919 0.36 . . . . 50.0 111.696 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -139.67 103.18 4.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.1 133.02 53.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -171.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.4 113.22 15.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.433 -1.691 . . . . 25.0 106.433 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.05 67.47 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.679 1.431 . . . . 25.0 116.679 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.25 -157.76 39.74 Favored Glycine 0 N--CA 1.425 -2.046 0 CA-C-O 125.41 2.672 . . . . 25.0 113.597 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 149.05 37.1 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 109.405 -3.397 . . . . 25.0 111.917 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.48 -174.73 28.59 Favored Glycine 0 C--N 1.313 -0.703 0 CA-C-N 113.521 -1.672 . . . . 25.0 114.988 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -97.57 104.37 16.39 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.599 -2.371 . . . . 25.0 104.599 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -111.57 149.38 31.52 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.765 1.024 . . . . 50.0 113.765 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -117.48 109.34 16.62 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.1 mt -121.69 99.47 6.48 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.548 0.574 . . . . 25.0 112.548 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.13 145.02 24.84 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.082 -1.011 . . . . 25.0 111.158 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.53 -2.14 1.55 Allowed Glycine 0 N--CA 1.464 0.56 0 N-CA-C 117.436 1.735 . . . . 25.0 117.436 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 29.81 -127.49 0.12 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 120.315 2.886 . . . . 25.0 120.315 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.47 143.57 39.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 109.859 -3.171 . . . . 25.0 111.442 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.46 161.42 33.7 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.09 68.32 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -72.29 156.02 39.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.953 -1.476 . . . . 50.0 109.911 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -112.07 108.66 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.642 0.734 . . . . 25.0 109.091 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -101.45 124.04 46.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 102.407 -3.183 . . . . 25.0 102.407 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -123.69 142.47 51.04 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.849 0.833 . . . . 25.0 111.834 -165.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.09 102.74 8.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.493 -1.23 . . . . 25.0 112.262 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.64 2.27 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.096 -2.557 . . . . 25.0 104.096 160.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 90.72 8.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.237 -1.347 . . . . 25.0 111.033 -175.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -86.67 -72.8 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.276 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.1 -17.98 63.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.631 1.205 . . . . 25.0 108.247 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.42 -9.83 59.1 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 114.253 -1.34 . . . . 25.0 111.733 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -131.82 40.74 3.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.384 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -102.46 164.41 11.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.67 151.58 46.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.114 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.8 p -150.84 169.45 21.65 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.406 -1.702 . . . . 25.0 106.406 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -25.11 66.97 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.3 -4.83 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.694 . . . . 25.0 112.176 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.59 154.25 6.09 Favored Glycine 0 C--N 1.317 -0.476 0 CA-C-N 115.209 -0.905 . . . . 25.0 113.588 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.65 140.15 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.75 92.28 3.57 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.338 -2.467 . . . . 25.0 104.338 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 p -120.57 178.87 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.997 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -120.35 110.31 16.39 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.51 104.73 16.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.9 mt -84.43 123.51 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.423 -1.325 . . . . 25.0 107.423 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.79 158.75 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.01 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.08 1.352 . . . . 25.0 114.53 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -150.53 44.47 0.86 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 115.729 1.751 . . . . 25.0 115.729 -169.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 41.3 t0 -141.72 72.53 24.45 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -87.13 21.79 1.01 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.466 -0.628 . . . . 25.0 110.466 164.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.41 4.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 125.832 1.653 . . . . 25.0 114.983 -171.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -139.43 31.45 2.11 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.298 0.639 . . . . 25.0 110.802 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.85 155.91 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -111.16 130.62 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.224 1.012 . . . . 25.0 112.913 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -120.79 134.34 55.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 105.364 -2.087 . . . . 25.0 105.364 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -122.03 116.49 24.38 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.34 13.86 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -67.4 -27.63 67.24 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.935 -0.478 . . . . 25.0 111.356 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.07 -14.69 61.92 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.628 0.251 . . . . 25.0 111.648 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.64 -13.6 36.73 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 -51.43 4.5 Favored Glycine 0 C--O 1.237 0.318 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 -169.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.0 t80 67.08 169.04 0.25 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.192 1.397 . . . . 25.0 109.592 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.6 p -118.07 -32.66 4.67 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.13 177.88 15.33 Favored Glycine 0 CA--C 1.509 -0.344 0 N-CA-C 108.528 -1.829 . . . . 25.0 108.528 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 tp -122.33 40.12 3.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.048 0.928 . . . . 25.0 111.081 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.22 56.67 4.39 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 115.258 -0.883 . . . . 25.0 114.87 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 58.61 26.13 14.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.56 1.689 . . . . 25.0 115.56 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.76 7.51 84.07 Favored Glycine 0 CA--C 1.511 -0.16 0 N-CA-C 117.728 1.851 . . . . 25.0 117.728 168.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -121.48 167.86 12.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.06 0.93 . . . . 25.0 109.844 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.37 38.17 28.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.799 0.839 . . . . 25.0 109.921 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.23 -9.94 30.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 115.269 0.867 . . . . 25.0 115.269 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.3 p -76.72 171.89 13.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.727 0.763 . . . . 25.0 110.073 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.3 168.92 8.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.8 152.77 41.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.37 141.2 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.4 t -146.22 149.26 33.58 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.591 -2.003 . . . . 25.0 105.591 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.67 131.51 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -121.0 122.28 39.8 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.87 -19.55 51.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.562 0.949 . . . . 25.0 113.562 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.59 -26.35 66.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.402 0.62 . . . . 25.0 109.988 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.91 -4.72 39.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.225 -1.15 . . . . 25.0 110.225 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.74 33.82 9.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.279 1.031 . . . . 25.0 111.635 -176.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -125.64 145.3 50.22 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -116.18 103.13 10.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 104.044 -2.576 . . . . 25.0 104.044 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -88.05 142.52 27.71 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 110.942 -2.844 . . . . 25.0 108.769 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.91 125.34 41.39 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -157.88 166.73 31.9 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -116.86 153.29 32.78 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 102.469 -3.16 . . . . 25.0 102.469 174.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.04 3.87 2.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.49 -33.42 75.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.491 0.663 . . . . 25.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.2 p -135.82 138.47 42.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.33 -72.44 0.52 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.033 -1.44 . . . . 25.0 110.01 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.08 59.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.3 mp0 -80.18 -22.21 42.18 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.163 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.11 81.5 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 108.458 -1.857 . . . . 25.0 108.458 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 119.82 10.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.697 1.237 . . . . 25.0 109.616 -174.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -179.85 5.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.299 -2.228 . . . . 25.0 111.406 -164.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -99.42 157.17 16.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.507 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -145.4 130.48 18.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.929 0.491 . . . . 25.0 109.893 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.22 165.94 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.3 t -146.74 148.24 31.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.46 131.14 39.55 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -81.26 110.08 16.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 153.17 -178.47 30.21 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 106.584 -2.606 . . . . 25.0 106.584 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -122.75 32.31 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 16.83 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.59 64.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.4 -6.71 57.42 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.317 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.87 3.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.32 124.72 29.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.2 p -162.24 165.75 26.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.25 68.68 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.121 0.486 . . . . 25.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.51 -31.83 67.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.04 -0.413 . . . . 25.0 110.045 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.52 -42.43 43.23 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.076 -0.39 . . . . 25.0 111.801 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.8 mt -129.03 123.28 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.9 tp -93.59 131.62 38.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -140.06 168.71 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.75 31.46 3.34 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.315 0.579 . . . . 25.0 111.155 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.97 150.38 38.2 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.76 0.53 8.11 Favored 'Trans proline' 0 C--N 1.353 0.787 0 N-CA-C 115.106 1.156 . . . . 25.0 115.106 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 2.8 p -123.73 133.11 24.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.16 -178.22 3.45 Favored 'Trans proline' 0 C--O 1.243 0.765 0 N-CA-C 115.781 1.416 . . . . 25.0 115.781 -172.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.253 1.237 0 CA-C-O 116.64 -1.648 . . . . 25.0 107.051 178.255 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 110.453 -0.203 . . . . 25.0 110.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.92 -13.65 39.02 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 116.413 -1.925 . . . . 25.0 114.134 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.46 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 174.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.82 156.79 25.7 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -127.97 23.72 6.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.33 41.67 28.77 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.163 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -63.85 127.84 92.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.87 131.34 39.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 116.291 -2.006 . . . . 25.0 114.323 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -82.03 129.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -84.3 112.3 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 123.191 1.472 . . . . 25.0 109.318 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.39 -137.18 2.16 Favored Glycine 0 C--N 1.312 -0.773 0 CA-C-N 112.735 -2.029 . . . . 25.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -125.48 164.03 21.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.235 -0.568 . . . . 25.0 110.255 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -86.7 3.51 44.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.464 0.65 . . . . 25.0 109.933 173.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -82.49 177.6 8.65 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -67.62 111.31 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -88.68 131.78 34.86 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -119.58 95.19 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 102.537 -3.134 . . . . 25.0 102.537 166.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.92 153.64 45.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -131.74 149.94 52.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.859 0.838 . . . . 25.0 111.847 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.8 -41.57 1.69 Allowed Glycine 0 CA--C 1.496 -1.102 0 CA-C-N 113.973 -1.467 . . . . 25.0 111.136 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 p 44.92 -141.16 0.28 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 113.858 -1.171 . . . . 25.0 110.864 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.16 -13.23 11.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.837 2.162 . . . . 25.0 116.837 -171.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 136.6 58.12 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.67 42.49 3.13 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.94 148.0 30.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 105.682 -1.969 . . . . 25.0 105.682 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -139.79 154.19 47.32 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 115.852 1.797 . . . . 75.0 115.852 -173.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.51 139.36 17.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 113.848 -1.524 . . . . 25.0 113.071 -165.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.3 t -111.66 150.5 30.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.24 69.15 0.09 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 119.548 -1.311 . . . . 25.0 114.491 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.71 0.03 OUTLIER Glycine 0 C--O 1.236 0.23 0 N-CA-C 119.797 2.679 . . . . 25.0 119.797 -168.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.78 -176.21 11.86 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 122.643 1.135 . . . . 25.0 114.196 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.0 169.25 4.81 Favored Glycine 0 C--N 1.311 -0.816 0 N-CA-C 117.177 1.631 . . . . 25.0 117.177 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.93 82.48 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.4 152.38 28.89 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -130.48 105.3 7.77 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.61 122.06 33.97 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 105.197 -2.149 . . . . 25.0 105.197 -170.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -112.77 135.98 52.9 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.5 -10.85 2.56 Favored Glycine 0 C--O 1.205 -1.69 0 N-CA-C 115.554 0.982 . . . . 25.0 115.554 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 20.41 -98.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 118.734 2.864 . . . . 25.0 118.734 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.65 164.69 54.7 Favored Glycine 0 C--O 1.247 0.944 0 O-C-N 120.782 -1.199 . . . . 25.0 115.965 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.28 168.59 33.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-O 121.782 0.657 . . . . 25.0 111.465 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.7 133.68 16.08 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 107.504 -2.238 . . . . 25.0 107.504 171.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -127.86 155.71 43.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.417 0.609 . . . . 50.0 110.165 -170.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.4 tt -143.65 98.41 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -124.07 145.01 49.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.501 -166.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.86 147.91 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 171.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.05 -27.22 7.48 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 115.693 1.037 . . . . 25.0 115.693 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.95 -157.99 45.42 Favored Glycine 0 N--CA 1.423 -2.172 0 CA-C-O 125.073 2.485 . . . . 25.0 111.606 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.85 148.03 31.53 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.752 -3.224 . . . . 25.0 111.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.11 -171.06 28.02 Favored Glycine 0 C--N 1.312 -0.787 0 CA-C-N 113.754 -1.566 . . . . 25.0 113.906 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -104.2 107.6 18.59 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -114.14 158.09 21.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -122.84 110.32 15.29 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -121.78 103.12 8.64 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 111.658 0.244 . . . . 25.0 111.658 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.05 144.3 27.7 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.137 -0.977 . . . . 25.0 110.901 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.0 -14.15 1.13 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 116.393 1.317 . . . . 25.0 116.393 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.48 -127.94 5.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 125.514 2.73 . . . . 25.0 118.266 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.12 144.01 41.83 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 109.166 -3.517 . . . . 25.0 111.61 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.62 162.4 38.2 Favored Glycine 0 C--O 1.245 0.796 0 N-CA-C 115.699 1.04 . . . . 25.0 115.699 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.46 67.88 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.63 154.09 41.43 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.983 -1.462 . . . . 50.0 109.422 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 m -114.42 96.6 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.718 0.77 . . . . 25.0 109.301 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.207 -2.146 . . . . 25.0 105.207 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -111.87 138.33 48.62 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.4 0.619 . . . . 25.0 111.008 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.07 95.54 4.65 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.246 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.5 4.16 40.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 166.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.38 94.81 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.081 -1.418 . . . . 25.0 110.46 -175.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -86.85 -73.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.255 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -69.31 -20.19 63.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.65 1.214 . . . . 25.0 108.205 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -74.99 -9.03 58.15 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 t -131.85 38.0 3.58 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.064 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.04 164.32 11.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -143.13 153.24 42.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.309 1.226 . . . . 25.0 114.309 -177.223 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.1 p -150.43 168.65 23.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.95 65.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.53 -5.45 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 25.0 112.03 178.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.93 148.43 4.74 Favored Glycine 0 C--N 1.315 -0.606 0 CA-C-N 115.115 -0.948 . . . . 25.0 113.893 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.89 141.11 48.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -125.43 91.96 3.52 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 103.7 -2.704 . . . . 25.0 103.7 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.5 p -123.74 -162.07 1.03 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.746 -0.661 . . . . 25.0 110.475 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.18 116.36 9.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.57 104.61 16.66 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -82.76 124.9 39.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -101.42 165.73 11.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 22.18 79.25 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.869 2.174 . . . . 25.0 116.869 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.94 40.28 1.51 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 113.644 -1.616 . . . . 25.0 114.524 -171.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -137.89 69.9 50.43 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 117.414 2.375 . . . . 25.0 117.414 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -87.79 21.03 1.08 Allowed 'Trans proline' 0 CA--C 1.541 0.839 0 N-CA-C 109.994 -0.81 . . . . 25.0 109.994 163.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 58.96 5.72 0.55 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.868 1.667 . . . . 25.0 114.582 -170.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -144.27 52.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.74 154.4 21.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -111.31 129.73 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.105 0.955 . . . . 25.0 112.779 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.02 125.76 44.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -108.03 117.08 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.066 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.44 12.86 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -70.19 -22.51 62.94 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.907 -0.495 . . . . 25.0 110.863 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.79 63.37 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.639 0.257 . . . . 25.0 111.096 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.9 mt -93.02 -10.37 36.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.1 -49.4 4.23 Favored Glycine 0 C--O 1.237 0.282 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.9 t80 68.61 168.65 0.28 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.262 1.425 . . . . 25.0 109.119 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -119.72 -31.54 4.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -174.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.75 -179.82 17.09 Favored Glycine 0 CA--C 1.51 -0.276 0 N-CA-C 108.867 -1.693 . . . . 25.0 108.867 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tp -122.87 44.62 2.6 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.066 0.933 . . . . 25.0 111.901 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.33 4.72 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 115.508 -0.769 . . . . 25.0 114.213 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.04 28.38 16.21 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.518 1.673 . . . . 25.0 115.518 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.82 6.5 85.22 Favored Glycine 0 C--N 1.326 -0.023 0 N-CA-C 117.731 1.852 . . . . 25.0 117.731 168.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -123.21 168.92 11.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 117.799 0.8 . . . . 25.0 109.684 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.81 37.8 27.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.813 0.845 . . . . 25.0 109.648 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.95 -10.2 27.48 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.251 0.861 . . . . 25.0 115.251 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.1 p -76.93 171.51 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.695 0.748 . . . . 25.0 110.535 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -104.38 170.75 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.09 152.53 48.58 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.37 146.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -144.77 149.99 36.45 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.82 132.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.73 122.3 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.49 -29.48 52.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.114 0.483 . . . . 25.0 111.172 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.03 -26.59 65.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 25.0 109.923 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.53 52.64 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.93 34.14 13.05 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.206 1.003 . . . . 25.0 111.287 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.508 -174.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -128.17 108.7 10.84 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 103.815 -2.661 . . . . 25.0 103.815 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -93.39 145.04 24.77 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.62 -2.536 . . . . 25.0 108.993 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.73 128.18 40.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -157.94 167.68 29.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.44 150.35 37.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.31 5.96 2.53 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.85 -33.75 76.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.584 0.707 . . . . 25.0 111.062 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -135.0 137.08 42.66 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 105.742 -1.947 . . . . 25.0 105.742 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.93 -65.57 1.05 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.491 -1.231 . . . . 25.0 111.639 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.69 -29.41 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.514 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.5 mp0 -76.04 -24.57 55.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.185 -1.37 . . . . 25.0 110.563 -175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.63 79.43 0.12 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 105.895 -2.882 . . . . 25.0 105.895 -176.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.7 6.16 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.97 1.367 . . . . 25.0 109.584 -174.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.68 -179.87 5.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 111.649 -2.523 . . . . 25.0 109.726 -164.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.88 156.21 17.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -144.72 133.08 21.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.046 0.538 . . . . 25.0 109.791 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.73 164.13 26.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 106.598 -1.631 . . . . 25.0 106.598 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.38 146.48 32.55 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.98 131.63 39.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -79.62 114.08 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.54 179.36 21.75 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 106.783 -2.527 . . . . 25.0 106.783 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.35 32.18 6.13 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 18.12 0.07 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 122.112 0.958 . . . . 25.0 113.504 -174.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.11 69.51 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 170.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.31 55.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.203 -0.908 . . . . 25.0 109.645 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.69 42.07 3.38 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.035 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.0 124.91 32.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.438 -1.69 . . . . 25.0 106.438 175.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.0 p -161.79 167.58 24.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.13 -29.34 67.37 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.062 0.458 . . . . 25.0 110.934 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -72.41 -29.89 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.917 -0.489 . . . . 25.0 110.251 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -80.2 -44.45 19.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.87 -0.519 . . . . 25.0 111.903 173.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.78 127.02 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.6 tp -100.45 128.03 46.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.04 167.79 21.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.124 -1.436 . . . . 25.0 107.124 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.4 31.29 3.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.334 0.588 . . . . 25.0 111.357 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.84 149.35 35.64 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.88 0.66 8.0 Favored 'Trans proline' 0 C--N 1.352 0.743 0 N-CA-C 114.897 1.076 . . . . 25.0 114.897 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 6.6 p -125.88 134.73 26.18 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.464 -2.05 . . . . 25.0 105.464 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.02 -177.57 3.01 Favored 'Trans proline' 0 C--O 1.244 0.785 0 N-CA-C 115.628 1.357 . . . . 25.0 115.628 -173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.253 1.241 0 CA-C-O 116.508 -1.711 . . . . 25.0 107.596 178.656 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.77 -14.32 41.3 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 116.195 -2.07 . . . . 25.0 113.972 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -49.13 22.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.505 0.193 . . . . 25.0 110.505 175.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.25 155.53 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.06 28.03 5.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.84 43.94 26.79 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.144 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -76.16 118.96 75.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 51.1 Cg_exo -61.28 141.89 94.4 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 114.066 -3.489 . . . . 25.0 115.48 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 131.36 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.04 113.62 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 123.125 1.441 . . . . 25.0 108.395 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.04 -135.85 1.77 Allowed Glycine 0 C--N 1.315 -0.625 0 CA-C-N 112.776 -2.011 . . . . 25.0 110.174 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -128.85 170.26 13.6 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.094 -0.651 . . . . 25.0 110.374 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -87.52 3.06 48.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.575 0.702 . . . . 25.0 109.119 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 tp -79.58 174.41 11.61 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -70.09 100.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -87.38 118.88 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.23 94.96 5.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 165.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.93 153.94 51.88 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -129.97 150.67 51.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.703 0.764 . . . . 25.0 111.814 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.94 -37.41 2.54 Favored Glycine 0 C--N 1.321 -0.277 0 CA-C-N 113.851 -1.522 . . . . 25.0 112.109 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.1 p 46.38 -145.57 0.21 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 113.442 -1.379 . . . . 25.0 110.881 -174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.64 -6.94 3.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.21 2.3 . . . . 25.0 117.21 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 138.42 58.31 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.61 43.73 3.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -147.84 147.4 29.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.769 -1.567 . . . . 25.0 106.769 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HB2' ' H ' ' A' ' 44' ' ' LEU . 2.6 tp10 -140.98 154.35 46.0 Favored 'General case' 0 C--O 1.176 -2.806 0 N-CA-C 117.623 2.453 . . . . 75.0 117.623 -172.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.48 141.35 14.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 113.65 -1.614 . . . . 25.0 111.569 -165.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -113.98 150.01 34.48 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.124 2.17 . . . . 25.0 105.478 171.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 73.11 0.07 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 119.866 -1.159 . . . . 25.0 115.826 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.99 -77.55 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 N-CA-C 120.013 2.765 . . . . 25.0 120.013 -168.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.76 -175.67 10.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 122.554 1.086 . . . . 25.0 114.332 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.18 168.2 5.59 Favored Glycine 0 C--N 1.312 -0.75 0 N-CA-C 116.485 1.354 . . . . 25.0 116.485 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 82.35 3.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -79.08 153.37 30.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -130.69 104.63 7.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 104.822 -2.288 . . . . 25.0 104.822 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.12 116.14 21.59 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -171.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.08 136.11 49.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.22 -0.71 5.85 Favored Glycine 0 C--O 1.215 -1.05 0 CA-C-O 118.401 -1.222 . . . . 25.0 115.465 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 18.7 -101.32 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.49 168.09 54.69 Favored Glycine 0 C--O 1.274 2.596 0 N-CA-C 115.236 0.854 . . . . 25.0 115.236 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.2 164.78 34.93 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 120.111 -1.042 . . . . 25.0 111.085 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.2 134.8 14.81 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 105.67 -2.972 . . . . 25.0 105.67 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -125.58 157.34 37.38 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 -168.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 1.8 tt -144.63 97.89 3.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.49 145.23 50.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.057 -164.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -138.99 147.74 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.95 9.26 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 116.388 1.315 . . . . 25.0 116.388 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.82 -156.31 43.85 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.115 2.508 . . . . 25.0 112.121 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.12 148.37 40.81 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 109.802 -3.199 . . . . 25.0 111.713 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.56 -172.33 27.34 Favored Glycine 0 C--N 1.312 -0.789 0 CA-C-N 113.728 -1.578 . . . . 25.0 115.185 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -100.19 105.92 17.56 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -114.52 155.26 26.77 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -169.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -121.48 109.72 15.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.195 -1.409 . . . . 25.0 107.195 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.5 mt -120.99 112.68 19.04 Favored 'General case' 0 C--O 1.209 -1.053 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.77 141.02 47.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.063 0.847 . . . . 25.0 110.72 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.47 -10.86 2.29 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 116.932 1.533 . . . . 25.0 116.932 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.76 -125.97 7.98 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-O 125.4 2.667 . . . . 25.0 117.301 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.25 146.18 51.61 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 109.582 -3.309 . . . . 25.0 110.769 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.48 161.09 36.86 Favored Glycine 0 C--O 1.244 0.766 0 N-CA-C 115.14 0.816 . . . . 25.0 115.14 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.9 68.63 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.89 -1.522 . . . . 25.0 106.89 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -66.13 153.09 43.29 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.165 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 m -113.37 96.0 5.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.663 0.744 . . . . 25.0 109.06 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -86.99 126.34 34.67 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -109.2 138.57 45.34 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.551 0.691 . . . . 25.0 110.207 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -121.22 98.0 5.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.75 2.21 32.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.418 -2.438 . . . . 25.0 104.418 165.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.19 89.78 7.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.403 -176.493 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -86.8 -72.39 0.51 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.866 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -70.93 -18.1 62.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.54 1.162 . . . . 25.0 107.964 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.29 -7.98 55.4 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-N 114.568 -1.196 . . . . 25.0 112.049 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -130.81 35.92 3.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.17 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.86 165.96 10.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -137.14 155.68 49.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -178.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.3 p -150.86 168.17 25.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.32 66.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -6.08 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.707 0.765 . . . . 25.0 112.285 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.18 151.91 5.53 Favored Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.438 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.1 p -118.88 143.26 47.08 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.852 0.358 . . . . 25.0 110.346 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.5 92.19 3.56 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -120.81 175.79 5.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.708 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.31 113.5 19.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.03 105.57 17.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.77 121.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.4 mt -101.89 160.65 14.3 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.322 -0.236 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 32.81 78.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.116 1.436 . . . . 25.0 114.461 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.36 39.33 0.9 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.65 -1.614 . . . . 25.0 115.171 -170.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -138.94 70.43 42.48 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 117.437 2.384 . . . . 25.0 117.437 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.21 20.89 1.08 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.169 -0.743 . . . . 25.0 110.169 164.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.68 7.03 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.663 1.585 . . . . 25.0 114.509 -170.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -145.15 54.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.8 154.27 24.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.453 -2.055 . . . . 50.0 105.453 174.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 131.6 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 122.226 1.012 . . . . 25.0 113.116 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.0 tp -123.62 133.0 54.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 106.015 -1.846 . . . . 25.0 106.015 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -119.15 111.84 18.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.756 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.38 13.57 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -28.33 68.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.029 -0.42 . . . . 25.0 110.941 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.6 62.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.5 mt -87.62 -16.11 35.39 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.07 -52.01 4.48 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 108.306 -1.918 . . . . 25.0 108.306 -168.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.4 t80 65.87 170.7 0.22 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.037 1.335 . . . . 25.0 109.549 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -120.77 -32.91 3.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 113.635 0.976 . . . . 25.0 113.635 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.28 179.02 16.12 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.16 39.55 3.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.02 0.914 . . . . 25.0 111.589 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.53 56.16 4.45 Favored Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.296 -0.865 . . . . 25.0 115.151 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 58.93 27.5 16.33 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.893 1.812 . . . . 25.0 115.893 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.94 7.4 83.91 Favored Glycine 0 N--CA 1.458 0.114 0 N-CA-C 117.841 1.896 . . . . 25.0 117.841 167.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -124.2 168.38 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.805 0.803 . . . . 25.0 109.701 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.77 38.01 27.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.803 0.841 . . . . 25.0 109.649 -174.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.91 -11.4 21.45 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 115.259 0.864 . . . . 25.0 115.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 p -76.59 171.57 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.793 0.796 . . . . 25.0 110.359 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -104.29 169.35 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 152.89 41.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.14 144.01 24.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 t -146.87 153.29 39.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.12 133.84 60.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.96 122.45 40.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -79.01 -26.52 43.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.049 0.452 . . . . 25.0 111.162 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.75 -26.55 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.444 0.64 . . . . 25.0 109.548 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -8.68 54.3 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.58 30.57 8.74 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 25.0 111.846 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -131.32 152.06 50.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -120.89 105.16 10.43 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.37 143.4 26.86 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 111.329 -2.669 . . . . 25.0 109.376 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -130.64 126.79 37.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.55 168.34 27.57 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.3 t -118.64 152.33 36.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 102.646 -3.094 . . . . 25.0 102.646 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.1 3.19 2.62 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.61 -34.03 76.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.536 0.684 . . . . 25.0 111.209 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.1 p -135.59 138.12 42.64 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -123.03 -66.21 1.04 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.182 -1.372 . . . . 25.0 111.556 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.75 -29.31 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 16.2 mp0 -75.35 -24.6 57.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.276 -175.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.86 78.86 0.13 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 106.46 -2.656 . . . . 25.0 106.46 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.03 5.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 123.138 1.447 . . . . 25.0 109.496 -175.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 166.0 12.23 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 111.617 -2.538 . . . . 25.0 110.38 -163.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -85.64 154.31 21.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.45 129.68 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.24 166.56 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 149.01 32.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.25 132.44 39.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.06 115.02 19.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.49 179.62 19.49 Favored Glycine 0 N--CA 1.437 -1.241 0 N-CA-C 106.785 -2.526 . . . . 25.0 106.785 -175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.02 31.39 6.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 16.56 0.07 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -29.87 64.82 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.0 -7.13 56.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.417 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.56 3.49 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.68 122.95 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -160.57 164.82 31.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.35 69.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.076 0.465 . . . . 25.0 110.851 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.97 -32.03 66.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.073 -0.392 . . . . 25.0 110.067 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.51 -42.53 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.099 0.409 . . . . 25.0 111.847 174.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.27 124.79 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.8 tp -95.27 132.44 40.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -140.36 168.69 19.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.29 31.28 3.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.344 0.592 . . . . 25.0 111.281 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.79 149.83 37.55 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.92 0.48 8.25 Favored 'Trans proline' 0 C--N 1.352 0.738 0 N-CA-C 114.978 1.107 . . . . 25.0 114.978 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.58 133.63 24.91 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.3 -178.37 3.59 Favored 'Trans proline' 0 C--O 1.243 0.736 0 N-CA-C 115.692 1.382 . . . . 25.0 115.692 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 116.645 -1.645 . . . . 25.0 106.814 177.504 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 N--CA 1.486 1.375 0 N-CA-C 110.531 -0.174 . . . . 25.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.92 -14.76 39.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 116.136 -2.11 . . . . 25.0 113.813 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -43.79 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.612 0.244 . . . . 25.0 110.481 176.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.85 148.93 10.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -112.55 23.3 13.7 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.59 44.55 20.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.093 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -78.48 115.66 53.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.21 145.01 96.31 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 114.625 -3.117 . . . . 25.0 114.537 -176.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.82 133.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.49 116.32 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.71 -139.38 3.33 Favored Glycine 0 C--N 1.313 -0.723 0 CA-C-N 112.88 -1.964 . . . . 25.0 110.869 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -118.34 166.22 12.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.141 0.496 . . . . 25.0 110.836 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -87.24 3.35 46.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.488 0.661 . . . . 25.0 109.573 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -82.67 176.89 9.0 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.537 -1.282 . . . . 25.0 107.537 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.01 111.66 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -93.7 125.02 38.09 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.34 95.1 4.91 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 104.574 -2.38 . . . . 25.0 104.574 165.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -137.82 153.44 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -128.28 149.34 50.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.916 0.865 . . . . 25.0 112.209 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.23 -39.74 2.21 Favored Glycine 0 CA--C 1.496 -1.155 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.573 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p 45.64 -144.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.822 -1.189 . . . . 25.0 111.088 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.56 -10.32 7.8 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.788 2.144 . . . . 25.0 116.788 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 138.13 58.02 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 44.52 3.35 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -150.37 157.88 43.54 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 104.397 -2.446 . . . . 25.0 104.397 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.8 tp10 -140.83 -179.37 6.02 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 123.22 0.325 . . . . 50.0 111.269 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.0 mp -121.08 137.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.926 -168.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -116.17 149.86 38.38 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.03 77.43 0.1 OUTLIER Glycine 0 N--CA 1.464 0.512 0 C-N-CA 119.758 -1.211 . . . . 25.0 113.256 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.3 -77.92 0.02 OUTLIER Glycine 0 C--O 1.238 0.345 0 N-CA-C 119.495 2.558 . . . . 25.0 119.495 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.51 -176.07 11.04 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-O 122.8 1.222 . . . . 25.0 113.733 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.42 165.89 4.71 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 116.934 1.534 . . . . 25.0 116.934 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.9 81.87 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -78.88 152.12 31.39 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.886 1.069 . . . . 50.0 113.886 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -128.96 104.06 7.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.004 -2.221 . . . . 25.0 105.004 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.84 118.33 25.27 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.36 136.19 48.42 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.95 -1.871 . . . . 25.0 105.95 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.59 -6.38 2.65 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 119.036 -0.869 . . . . 25.0 115.248 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 18.33 -95.84 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 118.279 2.696 . . . . 25.0 118.279 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.57 166.46 54.18 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-O 122.512 1.062 . . . . 25.0 115.508 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.65 167.41 34.58 Favored Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 110.764 -0.934 . . . . 25.0 110.764 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.74 133.87 13.71 Favored Glycine 0 C--N 1.313 -0.706 0 N-CA-C 106.962 -2.455 . . . . 25.0 106.962 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.86 154.84 43.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 117.208 0.504 . . . . 50.0 111.1 -170.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.51 101.61 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -125.55 130.16 51.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -168.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.28 121.97 44.53 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 170.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.66 -21.31 54.07 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 115.791 1.076 . . . . 25.0 115.791 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.506 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.94 -160.25 42.35 Favored Glycine 0 N--CA 1.424 -2.114 0 CA-C-O 125.203 2.557 . . . . 25.0 113.124 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 149.11 30.61 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.682 -3.259 . . . . 25.0 111.944 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -174.03 30.51 Favored Glycine 0 C--N 1.313 -0.731 0 CA-C-N 113.456 -1.702 . . . . 25.0 114.97 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.21 107.18 19.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.64 154.94 25.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.885 -1.052 . . . . 50.0 113.287 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -120.27 108.62 14.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -119.27 109.26 15.61 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.573 -0.251 . . . . 25.0 110.668 -172.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.43 37.9 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.953 0.797 . . . . 25.0 110.381 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.35 -4.94 2.14 Favored Glycine 0 N--CA 1.464 0.559 0 N-CA-C 117.749 1.86 . . . . 25.0 117.749 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 35.9 -125.38 0.81 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 125.196 2.553 . . . . 25.0 118.934 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.08 145.41 46.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 109.851 -3.175 . . . . 25.0 111.575 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.4 161.18 36.4 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 115.518 0.967 . . . . 25.0 115.518 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.66 67.16 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -68.92 153.79 43.17 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.042 -1.436 . . . . 50.0 109.655 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 m -113.01 96.42 5.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.968 0.89 . . . . 25.0 108.753 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -87.42 124.63 33.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 102.411 -3.181 . . . . 25.0 102.411 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -122.98 146.15 47.87 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.81 0.814 . . . . 25.0 111.38 -164.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -123.37 101.76 7.53 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.54 -1.209 . . . . 25.0 111.681 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.65 1.16 37.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.257 -2.498 . . . . 25.0 104.257 161.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.49 90.78 8.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.214 -1.357 . . . . 25.0 110.878 -175.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttt-85 -86.86 -72.74 0.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.904 -1.044 . . . . 25.0 113.278 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.54 1.162 . . . . 25.0 108.16 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -73.85 -8.36 55.77 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 114.363 -1.289 . . . . 25.0 111.704 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -132.0 38.52 3.51 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.421 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 18.4 pt20 -102.0 164.91 11.46 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.23 156.59 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -150.77 170.71 18.57 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.38 -24.13 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -6.16 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.524 0.678 . . . . 25.0 112.557 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.25 153.35 5.89 Favored Glycine 0 C--N 1.316 -0.573 0 CA-C-N 115.279 -0.873 . . . . 25.0 114.194 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.6 140.54 49.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 122.365 -0.491 . . . . 25.0 111.045 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -123.62 91.94 3.58 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.871 -2.64 . . . . 25.0 103.871 175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 p -124.26 177.64 5.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.661 -0.699 . . . . 25.0 110.122 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.02 110.68 18.55 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -90.3 105.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.73 120.33 38.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -101.74 159.55 15.23 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.396 0.278 . . . . 25.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.32 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.86 40.63 0.74 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.639 1.718 . . . . 25.0 115.639 -169.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -140.16 72.07 33.35 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 117.98 2.585 . . . . 25.0 117.98 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -87.63 22.02 0.96 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 N-CA-C 110.405 -0.652 . . . . 25.0 110.405 164.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.36 4.98 0.54 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.803 1.641 . . . . 25.0 114.908 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -138.27 30.69 2.41 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.35 0.66 . . . . 25.0 110.953 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.18 156.57 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 175.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -110.99 128.65 55.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.114 0.959 . . . . 25.0 112.882 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.25 126.93 54.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 105.846 -1.909 . . . . 25.0 105.846 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -116.81 115.75 26.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.34 16.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.198 -0.668 . . . . 25.0 109.198 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -65.74 -31.05 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.064 -0.397 . . . . 25.0 111.974 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.59 -14.08 38.45 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -51.97 4.34 Favored Glycine 0 N--CA 1.454 -0.156 0 N-CA-C 108.54 -1.824 . . . . 25.0 108.54 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 65.67 173.72 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.813 1.245 . . . . 25.0 109.686 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -126.18 -45.56 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 177.07 27.98 Favored Glycine 0 CA--C 1.509 -0.306 0 N-CA-C 106.553 -2.619 . . . . 25.0 106.553 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -127.19 24.36 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.539 1.17 . . . . 25.0 108.824 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.46 66.69 1.95 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.482 1.353 . . . . 25.0 116.482 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 61.66 21.04 11.84 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 25.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.89 71.73 Favored Glycine 0 C--O 1.228 -0.271 0 N-CA-C 118.101 2.0 . . . . 25.0 118.101 166.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -125.63 166.78 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.097 0.948 . . . . 25.0 109.67 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.06 38.87 30.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.622 0.769 . . . . 25.0 110.417 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.73 -10.21 47.15 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -75.58 171.23 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.076 0.938 . . . . 25.0 110.023 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.96 170.82 7.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.267 -1.753 . . . . 25.0 106.267 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.44 152.5 40.19 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 p -115.51 139.93 39.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -146.25 152.82 39.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.608 -1.997 . . . . 25.0 105.608 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.62 134.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.66 122.09 39.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -80.68 -22.98 39.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.97 0.414 . . . . 25.0 111.334 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.9 -26.96 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.8 -8.43 54.29 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.51 30.06 7.92 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.381 1.072 . . . . 25.0 111.913 -176.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -130.28 148.72 52.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.18 0.808 . . . . 25.0 113.18 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -116.96 104.03 10.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 103.634 -2.728 . . . . 25.0 103.634 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -88.29 142.26 27.89 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.979 -2.828 . . . . 25.0 109.026 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -126.82 122.97 36.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -157.75 163.82 37.72 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.6 t -113.52 152.59 30.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.864 -3.013 . . . . 25.0 102.864 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.48 3.83 2.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.139 -0.937 . . . . 25.0 112.915 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.71 -33.07 74.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.617 0.723 . . . . 25.0 110.491 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.9 p -136.85 137.66 39.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 106.393 -1.706 . . . . 25.0 106.393 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.32 -71.33 0.65 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.435 -1.257 . . . . 25.0 110.342 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.77 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 19.4 mp0 -78.36 -22.14 48.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.957 -175.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -171.34 82.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 106.743 -2.543 . . . . 25.0 106.743 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 117.73 7.52 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 123.281 1.515 . . . . 25.0 109.72 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.24 166.06 12.8 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 111.611 -2.541 . . . . 25.0 110.208 -164.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 37.0 m-85 -91.79 154.62 18.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.791 -0.641 . . . . 25.0 110.986 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -144.26 132.49 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.839 0.455 . . . . 25.0 110.294 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.64 166.07 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 173.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.1 t -147.77 147.02 29.42 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -130.47 131.59 45.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -78.72 110.29 13.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.75 -177.47 25.99 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 106.588 -2.605 . . . . 25.0 106.588 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -123.04 30.34 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 13.0 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -174.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.02 64.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.307 -1.738 . . . . 25.0 106.307 171.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.78 60.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.191 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.69 37.95 3.09 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.422 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.97 117.85 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 96.1 p -158.94 166.08 32.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.63 68.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.151 0.5 . . . . 25.0 110.597 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.57 -31.43 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.54 -40.31 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 174.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -128.86 123.45 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -98.51 134.2 41.8 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -142.3 169.4 17.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.68 30.54 3.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.411 0.624 . . . . 25.0 111.231 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.43 150.76 40.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.62 0.53 8.03 Favored 'Trans proline' 0 C--N 1.351 0.701 0 N-CA-C 114.729 1.011 . . . . 25.0 114.729 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.66 140.22 37.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 103.875 -2.639 . . . . 25.0 103.875 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -69.96 171.71 14.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 115.381 -2.612 . . . . 25.0 112.986 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.581 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 110.429 -0.211 . . . . 25.0 110.429 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.0 -14.48 41.21 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 116.174 -2.084 . . . . 25.0 113.978 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -49.32 21.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.55 0.214 . . . . 25.0 110.524 175.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.49 19.91 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -127.97 29.74 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.67 38.95 29.93 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.785 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -70.9 119.45 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -62.25 144.84 95.99 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 114.846 -2.969 . . . . 25.0 114.079 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.54 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.59 116.02 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.62 -138.96 3.16 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 112.966 -1.924 . . . . 25.0 110.71 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.147 0.499 . . . . 25.0 110.707 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -86.9 2.89 47.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 25.0 109.626 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.27 175.84 10.26 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -67.71 111.8 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 173.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -92.61 128.99 38.67 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.582 -1.266 . . . . 50.0 107.582 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 95.27 4.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.1 -2.556 . . . . 25.0 104.1 165.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.41 153.95 47.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -172.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.45 149.14 50.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.93 0.872 . . . . 25.0 112.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.63 -39.7 2.01 Favored Glycine 0 CA--C 1.497 -1.067 0 CA-C-N 113.913 -1.494 . . . . 25.0 111.467 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p 46.54 -146.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.882 -1.159 . . . . 25.0 111.44 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.98 -8.53 5.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.749 2.129 . . . . 25.0 116.749 -170.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.22 137.86 58.04 Favored 'General case' 0 C--O 1.252 1.205 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 46.17 3.62 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 110.299 -1.121 . . . . 25.0 110.299 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -151.42 157.86 42.95 Favored 'General case' 0 C--O 1.253 1.262 0 N-CA-C 104.153 -2.536 . . . . 25.0 104.153 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.95 -179.78 6.27 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.827 0.346 . . . . 50.0 111.595 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.6 mp -121.47 137.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.025 -168.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -115.04 154.64 28.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.143 -1.799 . . . . 25.0 106.143 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.06 75.21 0.08 OUTLIER Glycine 0 C--N 1.319 -0.363 0 C-N-CA 120.057 -1.068 . . . . 25.0 112.511 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.36 -76.13 0.03 OUTLIER Glycine 0 C--O 1.237 0.31 0 N-CA-C 119.428 2.531 . . . . 25.0 119.428 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.69 -176.45 12.03 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-O 122.767 1.204 . . . . 25.0 113.859 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.02 165.03 4.92 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.844 1.497 . . . . 25.0 116.844 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.16 81.52 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.98 151.62 31.49 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -170.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.4 104.31 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.678 -2.341 . . . . 25.0 104.678 171.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.94 121.74 33.98 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 105.127 -2.175 . . . . 25.0 105.127 -171.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -110.5 135.84 50.55 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.49 -6.95 2.25 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 115.572 0.989 . . . . 25.0 115.572 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 20.08 -100.93 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.21 167.81 54.85 Favored Glycine 0 C--O 1.258 1.612 0 N-CA-C 115.848 1.099 . . . . 25.0 115.848 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 166.36 34.68 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.193 -1.004 . . . . 25.0 110.669 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.69 132.56 12.06 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 107.003 -2.439 . . . . 25.0 107.003 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -127.04 154.11 45.09 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 117.015 0.407 . . . . 50.0 111.251 -169.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -138.71 101.54 4.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.21 131.86 53.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -170.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.4 116.38 24.67 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.87 -19.97 60.41 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 -174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.35 -158.73 38.62 Favored Glycine 0 N--CA 1.425 -2.063 0 CA-C-O 125.339 2.633 . . . . 25.0 113.487 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.98 149.22 32.65 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 109.397 -3.401 . . . . 25.0 111.697 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.66 -174.38 29.25 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.566 -1.652 . . . . 25.0 115.002 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -99.12 104.97 17.0 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -111.83 151.6 28.88 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -118.96 109.35 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.5 mt -120.92 102.71 8.53 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 144.49 26.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.218 -0.926 . . . . 25.0 110.366 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.92 -2.17 1.45 Allowed Glycine 0 N--CA 1.46 0.239 0 N-CA-C 117.022 1.569 . . . . 25.0 117.022 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 31.09 -127.07 0.18 Allowed Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 119.9 2.72 . . . . 25.0 119.9 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.81 142.92 44.11 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 109.892 -3.154 . . . . 25.0 111.447 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.6 159.41 32.82 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 174.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 66.78 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.31 154.84 41.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.064 -1.426 . . . . 50.0 109.619 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.1 m -113.74 99.92 8.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.704 0.764 . . . . 25.0 108.98 174.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -92.08 125.82 36.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -127.91 145.04 51.08 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.929 0.871 . . . . 25.0 111.8 -164.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -118.81 102.21 8.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.337 -1.302 . . . . 25.0 112.062 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.51 36.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.221 -2.511 . . . . 25.0 104.221 161.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.71 92.15 9.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.268 -1.333 . . . . 25.0 110.482 -176.253 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -86.46 -71.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 -172.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -72.1 -17.4 61.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -74.32 -9.81 58.97 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.218 -1.356 . . . . 25.0 112.079 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -131.0 35.28 3.96 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.57 165.79 10.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.9 157.48 46.32 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.0 p -150.88 167.34 27.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.106 -2.553 . . . . 25.0 104.106 170.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.31 -24.96 64.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.75 -5.88 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 25.0 111.96 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.25 4.29 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 115.082 -0.963 . . . . 25.0 113.546 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -118.93 142.19 47.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -125.21 92.18 3.58 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 p -119.78 178.16 4.69 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.79 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.3 110.58 15.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.126 -1.064 . . . . 50.0 108.126 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.49 104.6 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.76 125.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.41 165.8 11.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 22.92 79.71 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.608 2.077 . . . . 25.0 116.608 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.75 41.02 1.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.824 -1.535 . . . . 25.0 114.951 -169.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -140.0 71.36 35.0 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 117.946 2.573 . . . . 25.0 117.946 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.24 22.94 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 N-CA-C 110.204 -0.729 . . . . 25.0 110.204 164.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.54 4.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.83 1.652 . . . . 25.0 114.886 -171.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -139.57 32.42 2.06 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.357 0.663 . . . . 25.0 111.131 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.94 156.68 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.803 -1.554 . . . . 50.0 106.803 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -111.1 127.02 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.277 1.037 . . . . 25.0 113.423 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 tp -115.27 126.94 55.11 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.925 -1.879 . . . . 25.0 105.925 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.31 117.43 29.5 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.717 -0.22 . . . . 25.0 110.464 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.3 m -124.38 14.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -66.76 -28.6 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.21 -13.83 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.5 -13.88 39.17 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 174.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.79 -50.09 4.13 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 108.549 -1.821 . . . . 25.0 108.549 -169.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 66.36 171.35 0.24 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.948 1.299 . . . . 25.0 109.188 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 p -120.17 -31.73 4.33 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.77 179.19 16.24 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 108.627 -1.789 . . . . 25.0 108.627 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.89 36.94 4.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.016 0.908 . . . . 25.0 111.193 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.23 3.75 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.216 -0.902 . . . . 25.0 115.215 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 58.99 26.74 15.42 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.46 9.01 84.13 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 117.755 1.862 . . . . 25.0 117.755 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -124.13 168.32 13.06 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.862 0.831 . . . . 25.0 109.74 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.34 27.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.867 0.867 . . . . 25.0 109.611 -174.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.62 -11.87 24.18 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 115.212 0.845 . . . . 25.0 115.212 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 p -75.44 171.75 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.699 0.75 . . . . 25.0 110.362 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.09 170.55 7.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.66 152.91 44.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.76 144.62 20.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -145.7 150.39 36.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.41 132.88 64.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.29 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.82 -25.91 44.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.968 0.413 . . . . 25.0 111.183 -174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.8 -26.25 65.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.562 0.696 . . . . 25.0 109.539 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.0 -9.46 51.99 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.326 -1.11 . . . . 25.0 110.326 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.33 32.02 10.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.168 0.987 . . . . 25.0 111.457 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -131.16 152.68 50.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.9 t -123.66 106.16 10.31 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -91.46 145.5 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 111.278 -2.692 . . . . 25.0 109.457 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.22 126.85 40.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -157.64 167.42 30.16 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 t -115.8 153.95 30.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 102.884 -3.006 . . . . 25.0 102.884 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.3 3.24 2.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.01 -33.12 74.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.65 0.738 . . . . 25.0 110.173 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.4 p -135.51 140.58 44.88 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 104.704 -2.332 . . . . 25.0 104.704 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.57 -74.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.978 -1.01 . . . . 25.0 113.37 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.72 -37.8 12.79 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 122.092 0.948 . . . . 25.0 108.646 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.666 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.01 -30.93 71.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.178 -1.373 . . . . 25.0 110.377 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.48 64.51 0.55 Allowed Glycine 0 CA--C 1.501 -0.821 0 N-CA-C 106.097 -2.801 . . . . 25.0 106.097 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 121.81 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.589 1.185 . . . . 25.0 108.649 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 33.6 p -119.0 165.81 13.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 112.544 -2.116 . . . . 25.0 110.154 -160.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.27 150.87 46.93 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -140.55 127.98 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 171.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.4 164.62 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 106.476 -1.675 . . . . 25.0 106.476 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.39 148.79 33.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tt -134.07 131.12 38.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -79.26 113.57 17.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.31 179.99 21.17 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 106.673 -2.571 . . . . 25.0 106.673 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.08 32.05 6.12 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 14.43 0.08 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.427 1.269 . . . . 25.0 114.427 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.88 -29.19 62.98 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 170.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.88 -8.97 58.18 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.195 174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.34 39.38 3.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.154 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.3 mt -74.1 119.53 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -160.61 164.88 31.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.38 -30.44 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 25.0 110.617 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.85 -31.6 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.104 -0.373 . . . . 25.0 110.255 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.85 -40.52 39.98 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.2 mt -129.34 126.04 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.9 tp -99.37 131.98 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -141.95 168.79 18.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.65 31.7 3.07 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.298 0.571 . . . . 25.0 111.118 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.25 150.78 37.44 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.83 -1.58 10.63 Favored 'Trans proline' 0 C--N 1.354 0.818 0 N-CA-C 115.056 1.137 . . . . 25.0 115.056 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.85 133.76 24.86 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.51 -176.59 2.59 Favored 'Trans proline' 0 C--O 1.244 0.819 0 N-CA-C 115.552 1.328 . . . . 25.0 115.552 -172.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.253 1.237 0 CA-C-O 116.682 -1.627 . . . . 25.0 107.073 177.09 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 110.536 -0.172 . . . . 25.0 110.536 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.72 -15.41 40.89 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.171 -2.086 . . . . 25.0 113.731 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -41.34 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.64 0.257 . . . . 25.0 110.437 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.8 141.46 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -106.34 17.07 23.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.69 24.84 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.074 -0.966 . . . . 25.0 110.557 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -63.87 123.31 81.33 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.49 140.02 89.25 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 115.056 -2.83 . . . . 25.0 113.301 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.22 125.54 39.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.18 112.31 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-O 123.081 1.42 . . . . 25.0 108.583 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.79 -136.96 2.7 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 112.943 -1.935 . . . . 25.0 110.169 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -129.9 170.65 13.66 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.244 -0.562 . . . . 25.0 110.528 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -87.26 2.55 49.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.543 0.687 . . . . 25.0 109.404 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.01 174.36 11.67 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.47 110.52 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.32 124.29 38.25 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -114.62 95.07 5.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.111 -2.181 . . . . 25.0 105.111 166.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -136.8 153.95 50.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 -173.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -127.86 148.24 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.237 1.017 . . . . 25.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 -41.37 2.16 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.176 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.1 p 45.2 -144.67 0.17 Allowed 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.166 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.18 -10.47 4.52 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 117.23 2.307 . . . . 25.0 117.23 -170.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 140.25 58.14 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.69 44.96 3.42 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 108.9 -1.68 . . . . 25.0 108.9 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -150.08 151.06 32.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.896 -2.261 . . . . 25.0 104.896 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.294 3.2 tp10 -141.14 157.32 45.44 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.871 1.804 . . . . 75.0 115.871 -171.136 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -99.65 139.9 20.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-N 114.914 -1.039 . . . . 25.0 111.504 -165.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -115.3 148.49 39.15 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.76 72.77 0.08 OUTLIER Glycine 0 N--CA 1.465 0.579 0 C-N-CA 120.061 -1.066 . . . . 25.0 113.097 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.47 -76.92 0.02 OUTLIER Glycine 0 C--O 1.237 0.3 0 N-CA-C 119.309 2.484 . . . . 25.0 119.309 -168.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.4 11.02 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-O 122.826 1.236 . . . . 25.0 114.062 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 164.63 4.77 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 81.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -78.68 151.87 31.95 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -170.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.6 104.47 7.68 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.54 121.34 33.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.242 -2.133 . . . . 25.0 105.242 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -109.48 136.08 49.46 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.79 -1.929 . . . . 25.0 105.79 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 -7.34 2.43 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.606 1.002 . . . . 25.0 115.606 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 18.36 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 119.015 2.968 . . . . 25.0 119.015 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.75 167.66 54.79 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.141 -1.028 . . . . 25.0 115.314 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.63 167.35 34.43 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 117.695 0.748 . . . . 25.0 112.174 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.42 130.52 9.82 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -124.33 152.69 42.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.673 0.736 . . . . 50.0 110.55 -168.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.0 mt -138.4 97.91 3.48 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.51 133.04 54.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -170.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 115.45 18.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 172.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.85 -17.79 69.35 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 117.036 1.574 . . . . 25.0 117.036 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.6 -158.18 43.95 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.164 2.535 . . . . 25.0 112.773 -178.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 149.34 35.77 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 109.731 -3.234 . . . . 25.0 111.787 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.82 -174.37 29.04 Favored Glycine 0 C--N 1.312 -0.759 0 CA-C-N 113.618 -1.628 . . . . 25.0 115.344 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -97.71 103.98 15.96 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -111.36 150.43 29.75 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -170.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -117.76 109.32 16.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.5 mt -120.68 102.16 8.21 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.35 142.94 27.88 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.238 -0.914 . . . . 25.0 110.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.78 -9.95 1.45 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 116.674 1.43 . . . . 25.0 116.674 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.36 -128.03 2.25 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-O 125.466 2.703 . . . . 25.0 119.017 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -56.55 143.1 36.81 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.383 -3.408 . . . . 25.0 111.978 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.75 160.93 37.0 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 115.639 1.016 . . . . 25.0 115.639 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.12 66.24 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.448 1.099 . . . . 25.0 108.334 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -67.13 154.29 41.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.015 -1.448 . . . . 50.0 109.611 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.1 m -112.58 98.67 7.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -92.73 123.07 35.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 102.55 -3.13 . . . . 25.0 102.55 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -126.37 144.96 50.64 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-O 121.983 0.896 . . . . 25.0 111.895 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.91 103.59 9.18 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.233 -1.349 . . . . 25.0 111.764 -172.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.3 1.23 35.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.302 -2.481 . . . . 25.0 104.302 161.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.99 90.86 8.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.167 -1.378 . . . . 25.0 110.753 -175.796 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -87.0 -71.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -173.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -71.32 -17.96 62.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.484 1.135 . . . . 25.0 107.95 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -74.35 -8.79 57.46 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.531 -1.213 . . . . 25.0 111.819 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 36.86 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.167 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -102.69 165.1 11.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 152.97 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.183 0.809 . . . . 25.0 113.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.3 p -150.55 171.36 17.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 171.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.85 -24.21 66.11 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.68 54.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 25.0 111.978 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.11 152.88 5.75 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 114.211 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -118.98 139.4 51.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.089 0.471 . . . . 25.0 110.039 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.69 92.57 3.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 103.782 -2.673 . . . . 25.0 103.782 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 p -121.07 173.43 7.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 25.0 110.786 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.71 110.63 19.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.04 104.51 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -84.64 126.02 40.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.78 165.61 11.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 22.9 79.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -144.74 39.71 1.26 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.831 -1.531 . . . . 25.0 114.846 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -139.76 71.76 36.14 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 117.806 2.521 . . . . 25.0 117.806 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.95 22.25 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 N-CA-C 110.087 -0.774 . . . . 25.0 110.087 163.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 59.36 6.97 0.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.768 1.627 . . . . 25.0 114.346 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.6 54.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 155.99 21.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 173.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.14 127.46 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.269 1.033 . . . . 25.0 113.371 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 tp -116.71 130.32 56.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 174.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -119.84 118.42 30.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.182 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.28 14.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.7 p -66.1 -30.19 70.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.013 -0.43 . . . . 25.0 111.901 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.45 60.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.5 mt -88.21 -13.97 39.73 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 174.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.53 -50.82 4.4 Favored Glycine 0 CA--C 1.517 0.164 0 N-CA-C 108.254 -1.939 . . . . 25.0 108.254 -168.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.6 t80 65.65 171.81 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.989 1.316 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.3 -31.91 3.99 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.03 178.24 15.6 Favored Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.4 38.17 4.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.191 0.995 . . . . 25.0 111.163 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.7 57.11 4.22 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.196 -0.911 . . . . 25.0 115.007 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 58.19 26.19 13.49 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.559 1.688 . . . . 25.0 115.559 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.26 83.55 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 117.739 1.856 . . . . 25.0 117.739 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -121.36 167.66 12.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.085 0.943 . . . . 25.0 109.771 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 38.43 29.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.834 0.854 . . . . 25.0 109.996 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.09 -10.72 25.73 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.172 0.829 . . . . 25.0 115.172 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 p -75.93 172.67 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.794 0.797 . . . . 25.0 109.979 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.72 168.55 9.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.14 152.99 39.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.082 -1.822 . . . . 25.0 106.082 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.51 144.0 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 106.353 -1.721 . . . . 25.0 106.353 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -144.39 148.57 34.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.73 131.79 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.04 39.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.08 -28.68 54.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.483 . . . . 25.0 111.137 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.17 -26.76 65.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.439 0.638 . . . . 25.0 109.853 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.26 -9.51 53.38 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.661 -0.976 . . . . 25.0 110.661 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.25 32.47 10.85 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.221 1.008 . . . . 25.0 111.517 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -132.39 155.91 47.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.672 -0.694 . . . . 25.0 112.684 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.9 t -127.73 108.8 11.05 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 103.696 -2.705 . . . . 25.0 103.696 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -94.4 145.85 24.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 111.704 -2.498 . . . . 25.0 109.498 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -129.85 125.5 35.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.599 -1.259 . . . . 25.0 107.599 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -157.07 167.89 29.1 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 t -118.3 151.45 37.66 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.8 1.97 2.84 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.339 0.866 . . . . 25.0 113.339 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.48 -33.38 74.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.549 0.69 . . . . 25.0 110.467 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.1 p -134.9 140.33 45.69 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -127.28 -73.67 0.6 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.244 -1.344 . . . . 25.0 110.751 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.75 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 18.3 mp0 -76.36 -25.21 54.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.265 -1.334 . . . . 25.0 110.627 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.83 75.05 0.16 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 109.787 -1.325 . . . . 25.0 109.787 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 128.35 35.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.6 p -122.55 165.73 15.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.258 -164.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 154.06 42.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.103 0.478 . . . . 25.0 111.658 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -141.07 130.85 24.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.62 164.15 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.38 131.22 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -79.13 114.01 17.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.18 179.97 21.05 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 106.892 -2.483 . . . . 25.0 106.892 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -120.67 32.0 6.18 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.717 -0.845 . . . . 25.0 108.717 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 15.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.34 -29.64 64.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.206 -1.775 . . . . 25.0 106.206 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.21 57.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.387 -0.824 . . . . 25.0 109.254 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.43 41.13 3.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.236 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.56 122.13 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.7 p -161.54 165.06 29.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.32 69.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 25.0 110.765 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.83 -32.12 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.069 -0.394 . . . . 25.0 110.169 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.78 -41.28 45.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.488 . . . . 25.0 112.316 174.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 23.7 mt -129.46 125.2 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -97.36 133.19 42.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -140.18 168.86 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.97 31.38 3.28 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.388 0.614 . . . . 25.0 111.176 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.1 150.57 38.46 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.76 0.55 8.08 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 115.103 1.155 . . . . 25.0 115.103 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 4.0 p -123.92 133.81 24.91 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 105.286 -2.116 . . . . 25.0 105.286 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.35 -177.63 3.14 Favored 'Trans proline' 0 C--O 1.244 0.824 0 N-CA-C 115.861 1.447 . . . . 25.0 115.861 -172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.252 1.19 0 CA-C-O 116.499 -1.715 . . . . 25.0 106.955 177.87 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 110.572 -0.158 . . . . 25.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.9 -15.31 40.17 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 116.08 -2.147 . . . . 25.0 113.768 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -41.7 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 25.0 110.343 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.1 142.32 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.68 18.63 21.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.06 45.33 23.81 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.061 -0.972 . . . . 25.0 110.425 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -68.07 116.59 40.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -62.59 146.08 95.35 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 115.137 -2.775 . . . . 25.0 114.089 -176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.03 132.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 106.536 -1.654 . . . . 25.0 106.536 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -89.58 114.92 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-O 122.996 1.379 . . . . 25.0 107.878 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.47 -137.19 2.63 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 113.003 -1.908 . . . . 25.0 110.236 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -129.02 169.95 14.07 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.357 -0.496 . . . . 25.0 110.146 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.78 2.99 46.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.516 0.674 . . . . 25.0 109.425 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.69 174.95 11.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.86 111.07 4.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.83 127.13 39.41 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.97 95.37 4.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 104.675 -2.342 . . . . 25.0 104.675 166.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -136.4 153.77 51.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -126.24 148.11 49.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.976 0.893 . . . . 25.0 112.131 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.16 -37.18 2.01 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 113.954 -1.476 . . . . 25.0 111.411 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p 48.05 -148.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.254 -0.973 . . . . 25.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.04 -9.14 19.67 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.224 1.935 . . . . 25.0 116.224 -170.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 139.56 57.11 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 174.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.54 48.23 4.0 Favored Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.172 -1.171 . . . . 25.0 110.172 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -151.14 150.3 30.49 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.1 tp10 -140.71 -179.32 5.98 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.203 0.816 . . . . 75.0 113.203 -176.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -112.52 140.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.716 0.77 . . . . 25.0 113.035 -167.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -111.9 149.34 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 105.092 -2.188 . . . . 25.0 105.092 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.94 69.12 0.06 OUTLIER Glycine 0 N--CA 1.464 0.523 0 C-N-CA 120.058 -1.068 . . . . 25.0 112.98 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.81 0.03 OUTLIER Glycine 0 C--O 1.239 0.447 0 N-CA-C 119.788 2.675 . . . . 25.0 119.788 -168.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.78 -176.64 10.08 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-O 122.78 1.211 . . . . 25.0 114.358 -174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 165.58 5.27 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 116.844 1.498 . . . . 25.0 116.844 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.12 81.57 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.71 150.88 32.42 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 -170.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.07 104.01 7.54 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 104.423 -2.436 . . . . 25.0 104.423 172.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.1 mt -123.72 117.44 24.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 104.81 -2.293 . . . . 25.0 104.81 -170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -103.16 136.08 43.62 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 104.705 -2.332 . . . . 25.0 104.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.29 -4.6 2.23 Favored Glycine 0 C--O 1.214 -1.111 0 C-N-CA 120.415 -0.898 . . . . 25.0 113.73 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 19.51 -104.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 116.559 2.059 . . . . 25.0 116.559 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.62 171.94 54.08 Favored Glycine 0 C--O 1.244 0.733 0 N-CA-C 116.946 1.539 . . . . 25.0 116.946 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.14 164.33 37.21 Favored Glycine 0 C--O 1.247 0.911 0 CA-C-N 114.113 -1.043 . . . . 25.0 113.859 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.0 131.37 10.61 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 105.094 -3.202 . . . . 25.0 105.094 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.68 158.09 45.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.092 0.946 . . . . 50.0 111.335 -165.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -135.96 97.92 3.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.05 132.31 54.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -171.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.29 116.37 19.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 -17.83 71.69 Favored Glycine 0 C--O 1.228 -0.261 0 N-CA-C 116.136 1.214 . . . . 25.0 116.136 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.24 -156.63 44.79 Favored Glycine 0 N--CA 1.425 -2.081 0 CA-C-O 125.43 2.683 . . . . 25.0 113.329 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 148.12 37.62 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.333 -3.433 . . . . 25.0 111.857 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.41 29.93 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.585 -1.643 . . . . 25.0 115.112 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -98.54 104.86 16.94 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 104.97 -2.233 . . . . 25.0 104.97 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -111.86 154.12 25.62 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -121.62 110.2 15.7 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.6 mt -121.51 108.11 13.24 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -171.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 146.92 26.01 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.223 0.92 . . . . 25.0 111.903 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.01 17.05 0.81 Allowed Glycine 0 C--O 1.245 0.785 0 N-CA-C 117.602 1.801 . . . . 25.0 117.602 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 4.9 -116.92 0.01 OUTLIER Glycine 0 N--CA 1.465 0.586 0 N-CA-C 122.152 3.621 . . . . 25.0 122.152 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.31 145.99 54.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.593 -1.303 . . . . 25.0 109.854 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.77 162.63 26.93 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.758 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.91 73.7 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 153.64 42.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.323 -1.762 . . . . 50.0 108.136 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.3 m -118.16 95.96 5.12 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 169.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -88.92 124.12 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 103.271 -2.863 . . . . 25.0 103.271 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -121.08 140.31 52.14 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.177 -165.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -118.99 101.07 7.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.825 -1.08 . . . . 25.0 110.778 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 1.71 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.231 -2.507 . . . . 25.0 104.231 162.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.6 91.05 8.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.29 -176.682 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -85.48 -71.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -72.1 -16.68 62.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -75.99 -8.75 57.67 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-N 114.233 -1.349 . . . . 25.0 112.279 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.22 33.8 4.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.617 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -102.15 166.23 10.72 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.462 0.912 . . . . 25.0 113.462 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.24 156.83 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.67 167.6 26.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.772 -2.307 . . . . 25.0 104.772 171.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.25 65.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.26 -6.2 50.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.792 0.806 . . . . 25.0 111.976 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.77 148.94 4.85 Favored Glycine 0 C--N 1.316 -0.542 0 CA-C-N 115.001 -0.999 . . . . 25.0 113.375 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -118.95 143.04 47.25 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -125.56 92.41 3.6 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 p -121.79 177.76 5.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.29 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.91 110.76 15.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.22 104.49 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.63 125.86 40.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -101.52 165.51 11.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 22.66 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.588 2.07 . . . . 25.0 116.588 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -144.09 37.29 1.27 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.821 -1.536 . . . . 25.0 114.841 -169.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -137.34 68.94 54.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 117.485 2.402 . . . . 25.0 117.485 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.39 20.9 1.12 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 N-CA-C 110.0 -0.808 . . . . 25.0 110.0 163.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.09 4.52 0.44 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.872 1.669 . . . . 25.0 114.699 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -142.11 51.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.842 0.857 . . . . 25.0 109.116 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.13 154.09 22.22 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 104.466 -2.42 . . . . 50.0 104.466 172.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -111.08 131.6 54.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.085 0.945 . . . . 25.0 112.767 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -119.09 130.93 55.85 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -119.64 117.36 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -123.43 13.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.0 p -66.72 -29.14 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.999 -0.438 . . . . 25.0 111.85 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.08 -13.97 62.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.13 -14.35 38.95 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.93 -50.88 4.23 Favored Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 108.196 -1.962 . . . . 25.0 108.196 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.6 t80 65.48 171.45 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.931 1.292 . . . . 25.0 109.701 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 p -119.94 -31.33 4.5 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.37 -179.88 16.7 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 109.153 -1.579 . . . . 25.0 109.153 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -123.01 41.14 3.54 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.181 0.991 . . . . 25.0 111.489 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.91 55.44 4.52 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-N 115.415 -0.811 . . . . 25.0 114.578 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.52 28.31 16.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.57 7.35 84.61 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 117.873 1.909 . . . . 25.0 117.873 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -124.7 168.67 12.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.767 0.783 . . . . 25.0 109.693 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.04 37.98 26.62 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.886 0.874 . . . . 25.0 109.527 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.11 -12.84 16.89 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 115.269 0.868 . . . . 25.0 115.269 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -74.84 172.3 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.036 -0.685 . . . . 25.0 110.489 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.35 169.41 8.5 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.77 152.84 43.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.49 143.95 21.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.25 129.88 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -120.88 124.31 44.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -75.15 -24.84 58.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.93 -26.71 66.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.557 0.694 . . . . 25.0 109.698 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.51 -9.85 49.2 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.48 -1.048 . . . . 25.0 110.48 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.3 32.13 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.084 0.953 . . . . 25.0 111.239 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -131.61 153.69 49.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.762 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.9 t -123.92 106.02 10.09 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.139 -2.541 . . . . 25.0 104.139 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.26 145.27 24.8 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 111.47 -2.605 . . . . 25.0 109.156 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.97 126.5 37.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -157.66 166.79 31.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 t -115.36 153.15 31.52 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 103.007 -2.96 . . . . 25.0 103.007 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.88 1.05 2.73 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.1 -34.18 77.06 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.522 0.677 . . . . 25.0 110.6 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.2 p -134.46 138.65 44.92 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -177.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.94 -71.58 0.73 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.177 -1.374 . . . . 25.0 112.748 -176.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.03 -34.36 14.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 3.3 mp0 -68.48 -28.84 67.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.078 -1.419 . . . . 25.0 110.45 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.39 70.88 0.3 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.361 -2.296 . . . . 25.0 107.361 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 122.69 17.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.414 1.102 . . . . 25.0 108.462 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.5 p -120.0 166.06 13.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 112.876 -1.965 . . . . 25.0 110.413 -160.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -68.59 151.25 47.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -142.28 128.57 19.92 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 170.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.36 164.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.643 -1.614 . . . . 25.0 106.643 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -145.17 147.19 32.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.0 130.57 39.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.29 113.63 17.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.32 179.49 21.65 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.96 33.41 5.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 17.13 0.06 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.7 -30.09 65.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 170.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.1 57.24 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.332 -0.849 . . . . 25.0 109.477 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.97 41.72 3.42 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.224 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.53 122.32 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.0 p -161.34 165.08 29.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.052 0.453 . . . . 25.0 110.836 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -72.79 -31.31 64.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.006 -0.434 . . . . 25.0 110.191 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.73 -41.62 44.37 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.085 0.402 . . . . 25.0 111.998 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.2 mt -129.48 124.64 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -176.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.4 tp -95.91 133.0 40.62 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -139.18 168.79 19.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.72 31.56 3.35 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.386 0.612 . . . . 25.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.71 150.91 39.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.7 -2.76 12.36 Favored 'Trans proline' 0 C--N 1.352 0.756 0 N-CA-C 115.117 1.16 . . . . 25.0 115.117 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -120.26 131.85 24.3 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 105.708 -1.96 . . . . 25.0 105.708 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -73.49 -177.32 2.98 Favored 'Trans proline' 0 C--O 1.244 0.787 0 N-CA-C 115.856 1.445 . . . . 25.0 115.856 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.252 1.193 0 CA-C-O 116.475 -1.726 . . . . 25.0 107.238 178.182 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.582 -0.155 . . . . 25.0 110.582 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.1 -15.75 43.56 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 116.234 -2.044 . . . . 25.0 113.734 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -41.87 59.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.534 0.206 . . . . 25.0 110.614 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.94 143.93 9.69 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.39 18.43 18.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.62 42.94 23.21 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.227 -0.897 . . . . 25.0 110.206 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -63.67 123.04 80.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.54 142.87 96.35 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 115.228 -2.714 . . . . 25.0 114.14 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.31 126.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -87.95 112.27 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-O 122.839 1.304 . . . . 25.0 108.196 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.26 2.1 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.387 -1.733 . . . . 25.0 109.572 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -136.04 175.13 9.88 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.987 -0.713 . . . . 25.0 110.215 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -87.23 3.66 45.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 172.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 tp -79.25 170.75 16.16 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 114.819 -1.082 . . . . 25.0 108.162 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 100.32 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.268 1.027 . . . . 25.0 108.461 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.35 121.53 31.7 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 109.425 -0.583 . . . . 50.0 109.425 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.76 95.27 5.39 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 165.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -134.51 153.62 51.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.472 -1.306 . . . . 25.0 107.472 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -128.07 149.15 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.859 0.838 . . . . 25.0 112.072 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.11 -40.97 1.73 Allowed Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.344 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 p 46.05 -142.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.965 -1.118 . . . . 25.0 111.323 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.91 -12.8 12.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.672 2.101 . . . . 25.0 116.672 -170.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 138.79 58.36 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 43.25 3.23 Favored Glycine 0 C--O 1.217 -0.931 0 N-CA-C 110.311 -1.116 . . . . 25.0 110.311 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.79 143.49 28.68 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -141.1 153.72 45.56 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 115.511 1.671 . . . . 75.0 115.511 -172.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -86.11 141.0 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 113.374 -1.739 . . . . 25.0 112.497 -164.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -116.95 150.97 37.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.215 1.806 . . . . 25.0 106.195 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 78.5 0.05 OUTLIER Glycine 0 N--CA 1.465 0.58 0 C-N-CA 119.799 -1.191 . . . . 25.0 114.388 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -35.73 -76.08 0.06 OUTLIER Glycine 0 N--CA 1.459 0.174 0 N-CA-C 120.634 3.014 . . . . 25.0 120.634 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -174.77 9.49 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 115.564 0.985 . . . . 25.0 115.564 -172.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.38 167.8 6.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 116.105 1.202 . . . . 25.0 116.105 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 81.26 5.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.79 148.9 38.1 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.074 -0.966 . . . . 50.0 113.164 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -129.57 104.09 7.25 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.78 117.88 24.36 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 -170.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.2 136.42 47.89 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.37 -8.66 2.23 Favored Glycine 0 C--O 1.206 -1.618 0 N-CA-C 115.429 0.932 . . . . 25.0 115.429 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 19.87 -99.3 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 119.104 3.002 . . . . 25.0 119.104 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.9 54.64 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 115.996 1.158 . . . . 25.0 115.996 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.4 167.9 32.3 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.522 -0.631 . . . . 25.0 111.522 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.16 133.45 14.12 Favored Glycine 0 C--N 1.315 -0.59 0 N-CA-C 107.615 -2.194 . . . . 25.0 107.615 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -128.17 153.85 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.47 0.635 . . . . 50.0 110.614 -169.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.6 mt -138.76 98.01 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.39 140.2 53.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -167.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -141.53 159.87 41.33 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.66 33.19 1.08 Allowed Glycine 0 C--O 1.219 -0.806 0 C-N-CA 120.081 -1.057 . . . . 25.0 113.759 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.66 -129.71 0.01 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.816 3.086 . . . . 25.0 120.816 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 147.93 52.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.068 -2.066 . . . . 25.0 112.092 -174.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.4 -173.01 23.62 Favored Glycine 0 C--N 1.313 -0.695 0 CA-C-N 113.68 -1.6 . . . . 25.0 115.231 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -102.35 109.45 21.11 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 103.765 -2.679 . . . . 25.0 103.765 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -117.8 157.64 26.22 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.844 1.424 . . . . 50.0 114.844 -168.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -124.93 107.58 11.01 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -120.77 109.8 15.6 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.662 -0.209 . . . . 25.0 110.806 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.1 31.19 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 121.332 -0.855 . . . . 25.0 111.125 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.63 -6.98 1.26 Allowed Glycine 0 N--CA 1.462 0.412 0 N-CA-C 117.044 1.577 . . . . 25.0 117.044 -174.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.28 -125.24 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 125.162 2.534 . . . . 25.0 119.058 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.5 144.84 35.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.832 -3.184 . . . . 25.0 111.695 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.7 162.09 37.94 Favored Glycine 0 C--O 1.244 0.722 0 N-CA-C 115.862 1.105 . . . . 25.0 115.862 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 69.01 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.25 -1.389 . . . . 25.0 107.25 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -68.13 158.92 32.03 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.25 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 m -118.37 96.41 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.774 0.797 . . . . 25.0 108.905 174.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -83.99 138.97 32.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -124.88 136.44 53.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.539 0.685 . . . . 25.0 111.962 -168.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -122.02 98.6 6.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.938 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.7 3.51 39.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 164.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 92.87 8.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.336 -1.302 . . . . 25.0 110.858 -175.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -86.45 -73.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.559 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -69.94 -19.15 63.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.715 1.245 . . . . 25.0 108.065 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -75.41 -10.3 59.33 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 114.232 -1.349 . . . . 25.0 112.233 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.43 37.7 3.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.643 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -102.76 163.81 12.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.469 0.652 . . . . 25.0 112.638 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.57 152.75 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -150.81 159.1 44.76 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 99.45 -4.278 . . . . 25.0 99.45 168.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.43 74.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.875 0.761 . . . . 25.0 109.768 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.57 2.39 48.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.03 84.73 0.07 OUTLIER Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.882 -0.675 . . . . 25.0 114.019 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -102.8 121.86 43.34 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.564 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -126.01 92.31 3.56 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 p -121.81 173.55 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.015 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.96 112.37 19.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.66 105.43 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.44 125.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.05 165.62 11.06 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 21.92 79.28 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.937 2.199 . . . . 25.0 116.937 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.17 39.55 1.45 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.408 -171.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -136.56 69.41 60.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 117.475 2.398 . . . . 25.0 117.475 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.69 20.28 1.21 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 N-CA-C 110.072 -0.78 . . . . 25.0 110.072 163.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.3 p 58.42 5.41 0.44 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.832 1.653 . . . . 25.0 114.742 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.95 26.66 3.29 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.239 0.616 . . . . 25.0 111.241 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.38 154.47 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -111.83 132.41 54.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.866 0.841 . . . . 25.0 112.214 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.85 120.34 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -100.46 118.16 36.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.449 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.57 12.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -69.57 -23.73 63.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.892 -0.505 . . . . 25.0 110.987 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.54 -18.2 63.64 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.6 0.238 . . . . 25.0 111.196 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.82 -14.02 35.33 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.37 -48.8 4.12 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.922 -1.671 . . . . 25.0 108.922 -167.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 t80 68.85 167.57 0.28 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.553 1.541 . . . . 25.0 109.539 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -113.85 -33.51 5.75 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.01 178.97 15.89 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.042 -1.623 . . . . 25.0 109.042 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 tp -122.23 42.81 3.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.073 0.94 . . . . 25.0 111.098 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.45 56.39 4.43 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.299 -0.864 . . . . 25.0 114.189 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 57.5 27.69 14.41 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.73 8.6 84.27 Favored Glycine 0 C--O 1.229 -0.16 0 N-CA-C 117.704 1.842 . . . . 25.0 117.704 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -121.42 167.58 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.1 0.95 . . . . 25.0 110.002 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.1 38.29 29.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.837 0.855 . . . . 25.0 110.097 -175.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.01 -9.25 32.89 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 115.124 0.81 . . . . 25.0 115.124 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 p -76.85 170.9 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.785 0.793 . . . . 25.0 109.824 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.75 170.4 7.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.84 152.81 47.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.62 144.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 t -145.06 147.32 32.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.99 129.58 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -120.46 127.47 52.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -74.01 -26.7 60.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -67.67 -26.32 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.621 0.724 . . . . 25.0 109.996 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.57 -12.25 45.0 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.825 -0.91 . . . . 25.0 110.825 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 52.22 32.75 11.23 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.207 1.003 . . . . 25.0 110.746 -176.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -132.09 154.37 49.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.187 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -125.76 106.27 9.57 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -90.71 144.49 25.69 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 111.622 -2.536 . . . . 25.0 109.148 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.49 125.82 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.81 167.55 29.7 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -115.31 151.27 34.88 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.648 -3.093 . . . . 25.0 102.648 173.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.71 4.98 3.37 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.626 -0.715 . . . . 25.0 112.822 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.21 -34.02 77.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.527 0.68 . . . . 25.0 110.784 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.9 p -138.51 140.62 39.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -114.45 -74.08 0.63 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.81 -1.086 . . . . 25.0 113.358 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.2 13.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.213 1.006 . . . . 25.0 108.967 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.677 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 1.7 mp0 -68.22 -30.61 69.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.967 -1.47 . . . . 25.0 110.807 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.07 67.97 0.44 Allowed Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 105.521 -3.032 . . . . 25.0 105.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 115.41 5.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.215 1.483 . . . . 25.0 109.722 -173.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.1 p -104.97 -179.54 3.97 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 111.629 -2.532 . . . . 25.0 109.622 -163.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -91.35 153.91 19.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -175.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -145.49 130.77 18.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.588 . . . . 25.0 109.814 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -141.97 166.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.8 149.72 35.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.05 131.14 40.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.08 113.3 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.97 23.5 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 106.754 -2.539 . . . . 25.0 106.754 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.36 31.54 6.42 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 16.09 0.08 Allowed 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -174.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 106.385 -1.709 . . . . 25.0 106.385 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.03 -6.28 55.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.608 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -127.49 42.23 3.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.371 0.605 . . . . 25.0 110.014 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.96 124.84 37.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 86.4 p -165.72 173.03 11.15 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.51 -20.81 66.5 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.044 0.45 . . . . 25.0 110.926 176.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.57 -36.18 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.8 -39.55 14.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.476 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 20.7 mm -114.49 128.75 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -173.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.8 tp -99.9 126.55 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.717 -1.586 . . . . 25.0 106.717 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.14 168.09 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.84 32.21 3.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.256 0.551 . . . . 25.0 111.427 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.55 148.28 35.76 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.15 -7.18 20.18 Favored 'Trans proline' 0 C--N 1.353 0.775 0 N-CA-C 115.098 1.153 . . . . 25.0 115.098 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.78 130.36 23.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.86 -179.88 4.66 Favored 'Trans proline' 0 C--O 1.243 0.759 0 N-CA-C 115.155 1.175 . . . . 25.0 115.155 -173.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.254 1.31 0 CA-C-O 116.639 -1.648 . . . . 25.0 107.427 179.694 . . . . . . . . 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 ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo . . . . . 0 N--CA 1.462 -0.337 0 N-CA-C 113.583 0.57 . . . . 25.0 113.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mt -82.41 124.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.02 113.37 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 123.117 1.437 . . . . 25.0 107.674 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.14 2.26 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 112.984 -1.917 . . . . 25.0 110.606 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -132.2 174.31 10.35 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.215 -0.579 . . . . 25.0 110.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.65 4.64 46.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.743 0.782 . . . . 25.0 109.279 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.46 172.41 13.83 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 114.853 -1.067 . . . . 25.0 108.256 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.64 100.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.865 -1.531 . . . . 25.0 106.865 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -87.98 120.75 29.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -111.7 95.15 5.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 166.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -136.68 153.9 50.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -127.57 148.62 50.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.924 0.868 . . . . 25.0 112.11 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.27 -40.75 2.73 Favored Glycine 0 CA--C 1.506 -0.514 0 CA-C-N 113.765 -1.561 . . . . 25.0 110.631 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p 46.32 -144.92 0.23 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.121 -1.039 . . . . 25.0 110.53 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.58 -11.26 10.51 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.758 2.133 . . . . 25.0 116.758 -170.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 139.44 58.08 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.63 42.76 2.97 Favored Glycine 0 C--O 1.221 -0.664 0 N-CA-C 109.694 -1.363 . . . . 25.0 109.694 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.18 149.78 33.63 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.268 3.2 tp10 -140.76 156.45 46.17 Favored 'General case' 0 C--O 1.203 -1.357 0 N-CA-C 115.065 1.506 . . . . 75.0 115.065 -171.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.42 139.58 20.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 124.696 1.198 . . . . 25.0 108.822 -164.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -117.53 146.76 43.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 78.0 0.08 OUTLIER Glycine 0 N--CA 1.462 0.397 0 C-N-CA 119.631 -1.271 . . . . 25.0 114.489 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -31.35 -77.5 0.03 OUTLIER Glycine 0 C--O 1.236 0.24 0 N-CA-C 119.823 2.689 . . . . 25.0 119.823 -169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.54 -177.22 13.06 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-O 122.618 1.121 . . . . 25.0 114.036 -174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.54 165.01 5.46 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.525 1.37 . . . . 25.0 116.525 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.37 81.62 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.2 151.9 36.77 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.413 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -129.04 103.99 7.31 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -126.65 120.84 30.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.3 136.12 49.98 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 105.99 -1.855 . . . . 25.0 105.99 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.69 -8.04 4.03 Favored Glycine 0 C--O 1.212 -1.229 0 N-CA-C 115.356 0.902 . . . . 25.0 115.356 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 18.13 -97.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 119.253 3.057 . . . . 25.0 119.253 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 167.77 54.83 Favored Glycine 0 N--CA 1.465 0.629 0 O-C-N 120.822 -1.174 . . . . 25.0 115.586 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.72 165.56 22.34 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-O 121.797 0.665 . . . . 25.0 112.702 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.48 136.07 17.73 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 106.492 -2.643 . . . . 25.0 106.492 171.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -127.71 152.89 47.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.513 1.157 . . . . 50.0 109.06 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 95.9 mt -136.87 97.96 3.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -122.56 132.73 54.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -167.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 116.85 25.03 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.751 -1.113 . . . . 25.0 108.486 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.45 -22.43 54.01 Favored Glycine 0 N--CA 1.463 0.482 0 N-CA-C 116.782 1.473 . . . . 25.0 116.782 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.47 -159.35 38.1 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.42 2.678 . . . . 25.0 114.302 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.17 151.84 21.85 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 109.337 -3.431 . . . . 25.0 112.419 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.49 -174.68 35.21 Favored Glycine 0 C--N 1.312 -0.756 0 CA-C-N 113.428 -1.715 . . . . 25.0 113.107 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -104.88 107.79 18.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -110.12 156.67 20.28 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.999 -167.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -119.62 108.59 14.65 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.0 mt -120.68 108.7 14.33 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.037 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.47 140.41 37.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.283 -0.886 . . . . 25.0 109.549 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.35 -21.58 2.01 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 115.891 1.116 . . . . 25.0 115.891 -175.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.25 -130.39 41.15 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-O 126.116 3.065 . . . . 25.0 116.635 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -63.27 151.14 41.42 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 108.774 -3.713 . . . . 25.0 110.554 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 161.6 37.44 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 115.513 0.965 . . . . 25.0 115.513 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.58 68.68 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.935 -1.506 . . . . 25.0 106.935 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -68.61 154.19 42.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.645 -1.616 . . . . 50.0 109.229 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.0 m -114.97 101.66 9.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -97.73 124.09 41.93 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.534 -3.136 . . . . 25.0 102.534 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -127.94 149.94 50.11 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.701 0.762 . . . . 25.0 112.044 -165.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -121.57 103.13 8.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.567 -1.197 . . . . 25.0 112.795 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.46 2.15 36.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.272 -2.492 . . . . 25.0 104.272 160.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -90.58 91.11 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.119 -1.4 . . . . 25.0 110.816 -175.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -86.76 -72.04 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' HG3' HH21 ' A' ' 134' ' ' ARG . 14.7 mp0 -71.29 -17.09 62.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -73.8 -8.25 55.33 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 114.3 -1.318 . . . . 25.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -131.98 38.31 3.53 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.707 -0.679 . . . . 25.0 110.566 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 16.7 pt20 -102.6 163.63 12.11 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -135.98 156.71 48.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -178.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.7 p -150.96 167.72 26.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.268 -1.753 . . . . 25.0 106.268 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.78 -26.15 67.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.68 53.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 25.0 112.48 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.99 154.81 6.31 Favored Glycine 0 C--N 1.316 -0.575 0 CA-C-N 115.287 -0.869 . . . . 25.0 113.393 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 7.4 p -118.72 143.17 47.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.45 -0.441 . . . . 25.0 109.996 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -125.95 91.99 3.5 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 103.955 -2.609 . . . . 25.0 103.955 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 p -122.83 -179.59 4.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.353 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.23 109.66 15.66 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.32 104.27 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.27 125.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.67 165.99 10.93 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 22.32 80.16 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 117.183 2.29 . . . . 25.0 117.183 -175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.39 42.31 1.63 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 114.984 1.475 . . . . 25.0 114.984 -171.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -141.2 71.07 27.77 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 118.207 2.669 . . . . 25.0 118.207 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.62 21.26 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 N-CA-C 110.376 -0.663 . . . . 25.0 110.376 163.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.8 p 58.97 4.18 0.39 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.849 1.66 . . . . 25.0 114.974 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -136.59 29.81 2.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.335 0.654 . . . . 25.0 110.739 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.81 156.36 20.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.848 -1.538 . . . . 50.0 106.848 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -111.03 132.55 54.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.328 1.061 . . . . 25.0 112.064 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.35 122.89 27.15 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.758 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.75 15.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -65.22 -30.77 71.68 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.081 -0.387 . . . . 25.0 111.944 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.47 -14.01 61.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.13 -13.71 37.86 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.02 -51.11 4.25 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 109.339 -1.504 . . . . 25.0 109.339 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 21.4 t80 72.24 125.53 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.702 1.601 . . . . 25.0 110.149 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.0 p -78.55 -24.82 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.72 178.22 15.63 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 110.228 -1.149 . . . . 25.0 110.228 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.72 34.84 4.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.025 0.917 . . . . 25.0 110.162 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.58 57.34 4.48 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.363 -0.835 . . . . 25.0 114.487 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 56.67 26.9 11.81 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.163 1.542 . . . . 25.0 115.163 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 6.36 86.48 Favored Glycine 0 C--O 1.229 -0.179 0 N-CA-C 117.342 1.697 . . . . 25.0 117.342 171.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -117.46 167.53 11.2 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.184 0.992 . . . . 25.0 109.889 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.16 37.86 28.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.894 0.878 . . . . 25.0 110.287 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.17 -8.6 30.71 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 115.438 0.935 . . . . 25.0 115.438 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 p -77.06 172.8 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.583 0.691 . . . . 25.0 109.939 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.15 168.68 8.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.95 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.13 140.51 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -146.21 153.02 40.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.67 132.89 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.324 -1.361 . . . . 25.0 107.324 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.02 122.23 39.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.94 -27.05 49.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 25.0 111.278 -175.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.04 -26.57 65.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.388 0.613 . . . . 25.0 109.583 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.75 -10.01 51.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.758 -0.937 . . . . 25.0 110.758 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.71 32.12 11.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.107 0.963 . . . . 25.0 111.165 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.63 153.32 50.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.83 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -122.89 106.34 10.79 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.196 -2.52 . . . . 25.0 104.196 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.39 141.04 29.14 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 111.51 -2.586 . . . . 25.0 108.845 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.77 121.43 30.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -157.95 170.43 22.35 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.8 t -119.69 155.7 31.9 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 103.489 -2.782 . . . . 25.0 103.489 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.13 2.51 1.71 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.01 -33.92 76.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.512 0.672 . . . . 25.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.7 p -135.21 137.07 42.28 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -130.19 -73.09 0.56 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.994 -1.457 . . . . 25.0 109.799 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.82 -28.84 50.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 21.4 mp0 -78.78 -22.21 46.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.319 -1.309 . . . . 25.0 111.449 -175.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.2 84.47 0.07 OUTLIER Glycine 0 C--O 1.22 -0.769 0 N-CA-C 106.642 -2.583 . . . . 25.0 106.642 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.488 HH21 ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.23 127.93 33.6 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.848 1.308 . . . . 25.0 109.614 -172.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.34 165.96 12.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 112.438 -2.165 . . . . 25.0 110.251 -164.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 50.2 m-85 -90.87 154.51 19.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.856 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.81 130.5 16.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.005 0.522 . . . . 25.0 110.793 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.29 163.79 30.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.2 144.64 31.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tt -135.0 129.85 34.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -79.5 111.21 15.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.41 177.07 22.39 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 107.152 -2.379 . . . . 25.0 107.152 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.73 26.31 9.43 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 13.21 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.72 -28.43 61.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.08 60.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.38 36.8 3.78 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 118.07 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 99.2 p -160.16 164.22 33.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.71 68.54 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.223 0.535 . . . . 25.0 110.842 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.58 -33.09 68.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.953 -0.467 . . . . 25.0 110.21 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.68 -41.65 44.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.8 mt -129.1 121.3 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.878 -0.514 . . . . 25.0 112.147 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.9 tp -93.58 134.02 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -141.14 171.02 14.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.12 31.31 2.68 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.319 0.58 . . . . 25.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 120.933 0.305 . . . . 25.0 112.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.07 130.75 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 105.484 -2.043 . . . . 25.0 105.484 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.25 109.89 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 122.874 1.321 . . . . 25.0 108.324 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.08 -136.76 2.78 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 113.32 -1.764 . . . . 25.0 109.969 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.5 t -132.3 170.23 15.35 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.267 -0.549 . . . . 25.0 110.746 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.82 4.38 44.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.507 0.67 . . . . 25.0 109.331 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 tp -81.85 175.47 10.39 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.72 110.81 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 173.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -95.96 123.66 39.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -116.35 94.99 4.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 165.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.9 mt -136.45 154.03 50.89 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 -173.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.91 148.91 52.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.804 0.811 . . . . 25.0 112.645 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -99.95 -39.74 3.26 Favored Glycine 0 CA--C 1.492 -1.354 0 CA-C-N 114.175 -1.375 . . . . 25.0 112.017 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 p 44.9 -142.58 0.22 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 113.591 -1.305 . . . . 25.0 110.694 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -14.52 35.84 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 116.787 2.143 . . . . 25.0 116.787 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.33 140.31 58.02 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.75 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.91 51.73 4.6 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 108.919 -1.672 . . . . 25.0 108.919 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -151.86 144.82 24.47 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 103.933 -2.618 . . . . 25.0 103.933 -175.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -141.05 -179.56 6.16 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 112.516 0.562 . . . . 75.0 112.516 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.2 mp -113.35 141.42 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -114.21 149.72 35.36 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.14 74.92 0.05 OUTLIER Glycine 0 N--CA 1.465 0.631 0 C-N-CA 119.901 -1.142 . . . . 25.0 113.613 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.05 -74.88 0.06 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.226 2.851 . . . . 25.0 120.226 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.24 -175.93 10.26 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-O 122.56 1.089 . . . . 25.0 114.908 -173.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 169.29 8.75 Favored Glycine 0 C--N 1.313 -0.746 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.91 82.23 4.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.48 149.47 35.02 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -171.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.28 104.45 7.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.76 120.29 28.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 -171.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -112.16 136.04 52.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.51 -5.84 3.55 Favored Glycine 0 C--O 1.21 -1.396 0 N-CA-C 116.577 1.391 . . . . 25.0 116.577 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 18.42 -96.4 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 118.157 2.651 . . . . 25.0 118.157 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.78 166.54 53.19 Favored Glycine 0 C--O 1.257 1.535 0 CA-C-O 122.725 1.181 . . . . 25.0 115.242 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.46 166.76 35.21 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.22 -0.99 . . . . 25.0 111.073 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.11 130.86 10.45 Favored Glycine 0 C--N 1.316 -0.552 0 N-CA-C 106.918 -2.473 . . . . 25.0 106.918 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -124.34 157.33 35.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.945 0.373 . . . . 50.0 111.464 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.88 98.55 3.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.15 143.01 50.74 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.66 161.41 39.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.85 34.24 1.24 Allowed Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.208 -0.996 . . . . 25.0 114.01 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 17.44 -126.04 0.01 OUTLIER Glycine 0 CA--C 1.509 -0.313 0 N-CA-C 119.816 2.686 . . . . 25.0 119.816 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 146.25 55.18 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.743 -1.729 . . . . 25.0 113.329 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 -171.94 22.88 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-N 113.559 -1.655 . . . . 25.0 116.806 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -99.89 111.55 23.86 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 102.127 -3.286 . . . . 25.0 102.127 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -121.37 158.78 27.52 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.974 -1.012 . . . . 50.0 113.381 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -123.31 106.05 10.37 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.3 mt -120.56 106.79 12.12 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 110.506 -0.183 . . . . 25.0 110.506 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.7 142.43 34.36 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.407 -0.808 . . . . 25.0 110.283 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.17 -21.93 1.61 Allowed Glycine 0 C--O 1.224 -0.497 0 N-CA-C 115.744 1.058 . . . . 25.0 115.744 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.87 -131.9 50.05 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-O 126.206 3.115 . . . . 25.0 116.588 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.3 147.22 48.83 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 108.46 -3.87 . . . . 25.0 110.28 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 164.4 40.12 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 115.865 1.106 . . . . 25.0 115.865 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.32 67.44 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.779 1.232 . . . . 25.0 107.859 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -68.31 153.29 44.04 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.934 -1.485 . . . . 50.0 109.38 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.1 m -112.03 111.28 22.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.504 0.668 . . . . 25.0 109.279 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -103.98 127.96 51.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.933 -2.247 . . . . 25.0 104.933 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -114.46 138.23 50.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.373 0.606 . . . . 25.0 112.041 -169.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.59 102.29 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.833 . . . . 25.0 112.447 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.47 4.82 30.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 164.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.33 85.01 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.039 -1.437 . . . . 25.0 112.059 -171.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -84.39 -68.4 0.72 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.902 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -68.7 -23.01 64.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.565 1.174 . . . . 25.0 108.815 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.19 -6.33 47.13 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.269 -1.332 . . . . 25.0 111.458 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -141.18 48.52 1.67 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 23.2 pt20 -102.79 160.76 14.31 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.46 151.87 50.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.338 -0.846 . . . . 25.0 113.266 -176.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.88 169.34 21.96 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.132 -1.803 . . . . 25.0 106.132 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.32 -25.53 66.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.13 -4.8 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 25.0 112.072 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.4 151.09 5.34 Favored Glycine 0 C--N 1.317 -0.482 0 CA-C-N 115.137 -0.938 . . . . 25.0 113.956 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.8 t -118.45 136.8 53.58 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -125.41 92.27 3.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -128.27 164.84 21.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.75 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.67 118.11 30.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 50.0 109.67 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.81 105.09 17.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -81.87 124.45 39.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.2 mt -100.99 165.99 11.04 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 22.41 80.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -140.79 43.18 1.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 38.8 t0 -139.59 69.86 38.21 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -87.22 20.95 1.12 Allowed 'Trans proline' 0 CA--C 1.541 0.859 0 N-CA-C 110.221 -0.723 . . . . 25.0 110.221 163.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 58.99 4.2 0.39 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.788 1.635 . . . . 25.0 115.044 -171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -138.62 34.0 2.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.388 0.675 . . . . 25.0 110.698 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.59 19.97 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.575 -1.268 . . . . 50.0 107.575 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 127.26 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.233 1.016 . . . . 25.0 112.988 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.2 tp -121.85 128.32 51.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -112.99 114.36 26.79 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.444 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.11 14.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -68.02 -25.74 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.953 -0.467 . . . . 25.0 110.535 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.58 -9.07 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.11 -12.43 41.15 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.596 -1.261 . . . . 25.0 107.596 170.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.68 -51.69 4.5 Favored Glycine 0 C--O 1.228 -0.241 0 N-CA-C 108.808 -1.717 . . . . 25.0 108.808 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 71.32 157.36 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.349 1.459 . . . . 25.0 109.071 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.1 p -119.65 -16.64 8.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 -172.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 176.05 14.25 Favored Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 108.146 -1.982 . . . . 25.0 108.146 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.59 29.64 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.074 0.937 . . . . 25.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.45 60.44 2.82 Favored Glycine 0 C--O 1.225 -0.423 0 N-CA-C 115.574 0.99 . . . . 25.0 115.574 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.02 27.11 14.35 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.0 84.72 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 168.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.97 168.22 12.6 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.831 0.816 . . . . 25.0 109.514 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.58 38.27 27.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.845 0.858 . . . . 25.0 109.719 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.0 16.37 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 115.284 0.874 . . . . 25.0 115.284 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -72.0 172.5 9.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.74 0.77 . . . . 25.0 110.626 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.05 169.44 8.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.02 152.92 39.26 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.513 -2.032 . . . . 25.0 105.513 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.02 140.12 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -148.33 148.88 30.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.94 128.8 63.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -121.05 125.9 48.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.34 -22.82 57.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -66.84 -26.87 67.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 109.939 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.42 -9.79 37.66 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.98 34.81 14.51 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.259 1.028 . . . . 25.0 110.435 -175.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -130.24 153.7 48.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.01 -0.996 . . . . 25.0 112.519 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -126.15 108.54 11.42 Favored 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 103.576 -2.749 . . . . 25.0 103.576 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -93.33 143.86 25.87 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 111.62 -2.536 . . . . 25.0 109.215 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -127.81 121.12 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.01 165.06 36.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 -177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 t -115.26 151.12 35.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 103.314 -2.847 . . . . 25.0 103.314 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.66 2.05 3.42 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.68 -33.35 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.437 0.637 . . . . 25.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.3 p -132.06 132.48 43.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -126.13 -75.51 0.59 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.06 -1.427 . . . . 25.0 110.17 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.02 55.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.9 mp0 -76.83 -22.27 53.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.213 -1.358 . . . . 25.0 110.958 -176.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.2 79.24 0.08 OUTLIER Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.479 -1.448 . . . . 25.0 109.479 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 120.38 11.79 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 122.528 1.156 . . . . 25.0 109.602 -175.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.31 165.91 11.97 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.203 -1.817 . . . . 25.0 109.91 -167.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 51.6 p90 -90.3 152.99 20.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -146.75 140.99 26.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.98 161.84 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.8 t -138.39 143.51 39.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.03 126.8 29.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -78.45 112.3 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 150.24 174.85 21.81 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 106.97 -2.452 . . . . 25.0 106.97 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -118.17 30.12 7.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 17.78 0.06 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.38 65.07 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.864 -1.902 . . . . 25.0 105.864 169.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.05 59.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.36 -0.836 . . . . 25.0 109.477 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.86 3.4 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.986 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.2 116.64 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -158.42 165.65 34.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.56 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.269 0.557 . . . . 25.0 110.724 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.88 -33.52 70.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.005 -0.434 . . . . 25.0 110.023 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.61 -41.09 47.36 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.39 124.62 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.613 -0.679 . . . . 25.0 112.504 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.4 tp -95.97 132.38 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -146.15 168.13 21.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.41 29.82 2.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.562 0.696 . . . . 25.0 110.251 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.686 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.235 0.355 0 N-CA-C 114.856 1.06 . . . . 25.0 114.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -81.99 132.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.62 114.6 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-O 123.214 1.483 . . . . 25.0 108.084 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -136.43 2.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 112.653 -2.067 . . . . 25.0 110.554 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -127.0 168.13 14.97 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.275 -0.544 . . . . 25.0 110.694 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.47 2.75 49.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.464 0.65 . . . . 25.0 109.556 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.13 174.66 11.38 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -67.78 111.21 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.64 126.04 39.68 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.148 -1.056 . . . . 50.0 108.148 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.24 95.05 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 164.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.91 153.88 50.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -173.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -128.62 149.38 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.891 0.853 . . . . 25.0 112.119 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.425 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -104.88 -39.56 2.31 Favored Glycine 0 CA--C 1.496 -1.14 0 CA-C-N 113.975 -1.466 . . . . 25.0 111.583 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.2 p 45.94 -144.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.686 -1.257 . . . . 25.0 111.212 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.56 -10.17 7.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.795 2.146 . . . . 25.0 116.795 -170.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 137.98 58.02 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 174.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.64 44.54 3.37 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.143 -1.183 . . . . 25.0 110.143 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -150.53 157.19 42.71 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 104.193 -2.521 . . . . 25.0 104.193 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -140.81 -179.62 6.16 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 123.148 0.28 . . . . 50.0 111.557 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -117.61 138.96 46.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 122.977 0.511 . . . . 25.0 111.078 -167.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.4 t -114.15 148.64 36.89 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.8 72.98 0.1 OUTLIER Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.102 -1.047 . . . . 25.0 112.259 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.05 0.04 OUTLIER Glycine 0 C--O 1.238 0.352 0 N-CA-C 119.514 2.566 . . . . 25.0 119.514 -168.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.5 -177.06 12.51 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-O 122.814 1.23 . . . . 25.0 113.939 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 165.23 5.05 Favored Glycine 0 C--N 1.309 -0.93 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.19 81.74 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -79.18 152.16 30.86 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -128.68 104.12 7.47 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 104.948 -2.242 . . . . 25.0 104.948 171.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -125.65 119.82 29.07 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -109.98 136.81 48.66 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -6.15 2.85 Favored Glycine 0 C--O 1.208 -1.485 0 N-CA-C 115.448 0.939 . . . . 25.0 115.448 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 18.88 -96.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 118.263 2.69 . . . . 25.0 118.263 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.13 166.46 54.39 Favored Glycine 0 C--O 1.254 1.395 0 CA-C-O 122.531 1.073 . . . . 25.0 115.626 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.86 167.26 34.78 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.687 -0.965 . . . . 25.0 110.687 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.43 133.94 13.96 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 106.934 -2.466 . . . . 25.0 106.934 171.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.76 155.11 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.24 0.52 . . . . 50.0 111.051 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.78 99.73 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.68 134.29 53.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.81 116.74 20.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.341 -1.725 . . . . 25.0 106.341 172.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.65 -17.69 65.45 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 116.435 1.334 . . . . 25.0 116.435 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.44 -156.87 41.77 Favored Glycine 0 N--CA 1.425 -2.054 0 CA-C-O 125.446 2.692 . . . . 25.0 113.358 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 148.1 34.35 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.368 -3.416 . . . . 25.0 112.202 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -173.31 30.28 Favored Glycine 0 C--N 1.313 -0.718 0 CA-C-N 113.458 -1.701 . . . . 25.0 115.217 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -98.33 105.73 17.91 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.6 151.9 29.53 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.63 108.74 15.81 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 106.768 -1.567 . . . . 25.0 106.768 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -119.89 104.52 10.25 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 119.698 -0.191 . . . . 25.0 111.376 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.43 141.07 35.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.314 -0.866 . . . . 25.0 110.419 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -7.6 2.3 Favored Glycine 0 N--CA 1.462 0.418 0 N-CA-C 117.313 1.685 . . . . 25.0 117.313 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.15 -126.95 2.07 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-O 125.418 2.676 . . . . 25.0 118.514 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.2 144.7 49.47 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 109.492 -3.354 . . . . 25.0 111.523 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.31 161.35 36.56 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.44 0.936 . . . . 25.0 115.44 174.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.67 66.54 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -67.75 153.87 42.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.114 -1.403 . . . . 50.0 109.507 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.9 m -112.47 104.86 12.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -98.47 122.91 42.25 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.677 -3.083 . . . . 25.0 102.677 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -123.18 143.99 49.65 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.844 0.831 . . . . 25.0 111.975 -166.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.83 99.27 6.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.576 -1.193 . . . . 25.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.13 3.19 43.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 95.29 9.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.276 -1.329 . . . . 25.0 110.534 -175.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.79 -72.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.064 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -70.52 -19.08 62.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.891 1.329 . . . . 25.0 107.879 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -74.74 -10.32 59.4 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 113.822 -1.536 . . . . 25.0 111.922 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -130.75 36.56 3.89 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.632 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -102.05 164.8 11.51 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.57 155.0 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.87 168.21 25.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.713 -1.958 . . . . 25.0 105.713 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.51 66.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.62 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.57 0.7 . . . . 25.0 112.123 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.65 152.0 5.54 Favored Glycine 0 C--N 1.316 -0.571 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.468 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.7 p -118.79 143.03 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -125.89 92.46 3.6 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 103.75 -2.685 . . . . 25.0 103.75 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 p -125.36 177.9 5.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.347 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.68 111.84 17.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.84 105.27 17.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.62 121.32 37.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.6 mt -101.53 159.81 14.97 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.397 -0.223 . . . . 25.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.32 79.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 123.079 1.419 . . . . 25.0 114.423 -177.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.38 41.33 0.88 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 -169.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -140.78 72.23 29.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 117.749 2.5 . . . . 25.0 117.749 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.68 22.09 0.95 Allowed 'Trans proline' 0 CA--C 1.541 0.835 0 N-CA-C 110.22 -0.723 . . . . 25.0 110.22 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p 59.94 5.09 0.68 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.915 1.686 . . . . 25.0 114.549 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -144.63 53.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 155.9 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.465 -2.05 . . . . 50.0 105.465 173.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.04 128.58 55.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.326 1.06 . . . . 25.0 113.288 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.7 tp -119.06 131.79 55.98 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -120.31 119.13 32.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.283 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.26 14.25 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.9 -24.89 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.136 -0.353 . . . . 25.0 111.853 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.1 62.16 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.548 0.203 . . . . 25.0 111.548 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.2 mt -93.18 -9.2 40.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.87 -49.74 4.18 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 114.459 -1.246 . . . . 25.0 110.178 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 68.42 169.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.965 1.306 . . . . 25.0 109.739 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.0 p -124.88 -51.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.92 178.91 38.59 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 107.927 -2.069 . . . . 25.0 107.927 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.54 24.75 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.092 0.946 . . . . 25.0 109.006 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.25 64.14 2.08 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 61.56 22.76 13.16 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.38 10.5 82.01 Favored Glycine 0 C--N 1.323 -0.141 0 N-CA-C 118.061 1.984 . . . . 25.0 118.061 166.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -123.5 168.09 13.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.853 0.827 . . . . 25.0 109.821 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 38.28 29.29 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.808 0.843 . . . . 25.0 109.948 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.78 -8.12 45.33 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 p -77.46 171.82 14.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.078 0.939 . . . . 25.0 110.199 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.65 171.74 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.62 152.79 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.759 -1.941 . . . . 25.0 105.759 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -114.32 142.69 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -143.67 148.51 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.82 -1.918 . . . . 25.0 105.82 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.77 131.8 62.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.15 39.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -77.43 -29.08 52.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 25.0 110.96 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.06 -26.79 66.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.416 0.627 . . . . 25.0 109.798 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.72 -9.13 53.41 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.8 33.45 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.12 0.962 . . . . 25.0 111.527 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -132.1 155.54 47.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.677 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.2 t -127.91 108.6 10.83 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 103.737 -2.69 . . . . 25.0 103.737 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.59 142.66 27.09 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 111.848 -2.433 . . . . 25.0 109.168 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -130.28 125.9 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -158.0 165.34 35.35 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.4 t -115.38 151.28 34.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.227 -3.249 . . . . 25.0 102.227 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.78 5.71 2.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 113.742 1.015 . . . . 25.0 113.742 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -65.3 -32.84 74.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.607 0.718 . . . . 25.0 111.107 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.1 p -134.86 138.69 44.41 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -125.4 -73.65 0.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.715 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -81.83 -29.02 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 17.2 mp0 -77.2 -23.78 51.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.849 -175.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.15 79.46 0.1 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.766 -2.134 . . . . 25.0 107.766 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 115.9 5.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.841 1.305 . . . . 25.0 109.617 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.34 166.1 11.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 111.757 -2.474 . . . . 25.0 110.727 -162.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -76.31 152.37 36.43 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.01 130.15 18.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.5 164.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.76 147.41 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.03 132.33 39.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -80.7 113.81 19.15 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.6 179.54 21.94 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 106.839 -2.504 . . . . 25.0 106.839 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.56 32.3 6.15 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 17.11 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.42 65.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.05 -1.833 . . . . 25.0 106.05 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.28 -11.06 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.459 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.23 41.71 3.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.053 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.6 113.48 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -156.96 166.51 33.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.15 70.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.173 0.511 . . . . 25.0 110.743 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.22 -33.11 71.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.159 -0.338 . . . . 25.0 110.212 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.51 -41.22 40.08 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.1 mt -128.5 122.32 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.817 -0.552 . . . . 25.0 112.346 -175.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.3 tp -94.98 131.94 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.428 -0.952 . . . . 25.0 108.428 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.95 168.17 20.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.94 30.69 3.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.424 0.63 . . . . 25.0 111.439 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 N-CA-C 107.27 -1.382 . . . . 25.0 107.27 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo . . . . . 0 C--O 1.236 0.384 0 N-CA-C 113.729 0.627 . . . . 25.0 113.729 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.15 129.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.01 114.23 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-O 123.099 1.428 . . . . 25.0 108.214 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.29 -137.71 2.24 Favored Glycine 0 C--N 1.314 -0.651 0 CA-C-N 112.834 -1.985 . . . . 25.0 110.739 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -122.0 170.27 9.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.146 0.498 . . . . 25.0 111.021 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.44 2.63 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.551 0.691 . . . . 25.0 109.367 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.21 175.59 10.17 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.47 111.61 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.919 -1.512 . . . . 25.0 106.919 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -95.93 126.81 41.44 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.06 95.19 4.88 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.45 154.01 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -173.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -128.64 148.14 50.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.907 0.861 . . . . 25.0 112.273 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.11 -41.71 1.76 Allowed Glycine 0 CA--C 1.497 -1.068 0 CA-C-N 113.835 -1.53 . . . . 25.0 111.1 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.2 p 44.82 -143.64 0.18 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.888 -1.156 . . . . 25.0 111.036 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.18 -9.82 5.48 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.811 2.152 . . . . 25.0 116.811 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 137.9 58.12 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 46.21 3.64 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 110.379 -1.088 . . . . 25.0 110.379 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.0 159.19 44.73 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 104.068 -2.568 . . . . 25.0 104.068 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -140.8 -179.48 6.08 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.145 0.424 . . . . 50.0 112.145 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.493 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.4 mp -121.59 140.13 46.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 123.045 0.538 . . . . 25.0 110.672 -168.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -118.61 159.24 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.51 79.07 0.06 OUTLIER Glycine 0 N--CA 1.462 0.433 0 C-N-CA 120.029 -1.081 . . . . 25.0 112.55 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.52 -80.82 0.01 OUTLIER Glycine 0 C--O 1.239 0.466 0 N-CA-C 119.083 2.393 . . . . 25.0 119.083 -167.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.28 -175.84 10.23 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-O 122.895 1.275 . . . . 25.0 113.442 -175.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.71 164.8 5.54 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 116.54 1.376 . . . . 25.0 116.54 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.3 81.97 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.64 152.47 29.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -170.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -128.04 103.98 7.53 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.39 118.1 25.94 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.306 -2.109 . . . . 25.0 105.306 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -106.16 136.04 46.56 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.739 -1.948 . . . . 25.0 105.739 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.81 -10.97 1.31 Allowed Glycine 0 C--O 1.21 -1.394 0 C-N-CA 120.221 -0.99 . . . . 25.0 115.369 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 18.78 -95.67 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.543 2.794 . . . . 25.0 118.543 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.75 54.92 Favored Glycine 0 C--O 1.251 1.215 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.49 167.23 33.87 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 110.936 -0.866 . . . . 25.0 110.936 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.83 131.85 11.39 Favored Glycine 0 C--N 1.315 -0.606 0 N-CA-C 107.045 -2.422 . . . . 25.0 107.045 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -127.68 154.58 45.13 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.151 0.476 . . . . 50.0 110.994 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.6 mt -139.28 101.47 4.26 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.43 131.44 53.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -170.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.69 114.14 18.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 171.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.5 -16.77 77.26 Favored Glycine 0 C--O 1.238 0.385 0 N-CA-C 116.214 1.246 . . . . 25.0 116.214 -174.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 70.67 -171.88 43.7 Favored Glycine 0 N--CA 1.422 -2.266 0 CA-C-O 124.437 2.132 . . . . 25.0 111.796 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.1 19.72 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 110.914 -2.643 . . . . 25.0 111.894 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -174.8 21.72 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 113.507 -1.679 . . . . 25.0 115.713 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 80' ' ' SER . 15.2 tpp85 -98.89 106.68 18.97 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 103.631 -2.729 . . . . 25.0 103.631 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.32 155.49 29.46 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -118.29 109.31 16.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.46 102.21 8.3 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -171.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.79 145.52 25.76 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.171 -0.956 . . . . 25.0 111.325 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.58 0.34 1.23 Allowed Glycine 0 N--CA 1.462 0.404 0 N-CA-C 117.719 1.848 . . . . 25.0 117.719 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 26.43 -123.66 0.05 OUTLIER Glycine 0 CA--C 1.507 -0.44 0 N-CA-C 120.253 2.861 . . . . 25.0 120.253 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -57.22 144.0 37.02 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 110.63 -2.785 . . . . 25.0 111.7 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.82 34.6 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 115.304 0.882 . . . . 25.0 115.304 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.64 66.31 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -68.7 155.28 40.38 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.286 -1.325 . . . . 50.0 109.227 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -114.2 96.34 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.65 0.738 . . . . 25.0 109.121 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -87.77 130.49 34.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 102.506 -3.146 . . . . 25.0 102.506 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -129.92 144.5 51.35 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.943 0.878 . . . . 25.0 113.149 -165.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.18 104.77 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.282 -1.327 . . . . 25.0 113.557 -170.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.47 13.5 34.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 102.663 -3.088 . . . . 25.0 102.663 160.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.7 mt -87.82 69.09 9.5 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 113.364 -1.744 . . . . 25.0 113.435 -168.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -76.27 -68.07 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.812 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -70.47 -24.42 62.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.202 1.001 . . . . 25.0 109.167 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.38 -9.57 58.68 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 114.922 -1.035 . . . . 25.0 111.715 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -140.71 48.2 1.73 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.819 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 24.9 pt20 -102.46 161.53 13.64 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -173.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 155.02 51.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.44 168.29 24.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.41 66.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -5.65 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 25.0 112.069 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.52 150.54 5.22 Favored Glycine 0 C--N 1.316 -0.569 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.612 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -118.35 141.31 48.66 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -125.57 92.57 3.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.658 -2.349 . . . . 25.0 104.658 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.411 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 11.1 p -127.72 161.58 28.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.126 0.488 . . . . 25.0 111.991 -170.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -95.7 115.64 27.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.655 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.2 105.72 17.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -83.36 124.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.47 159.48 15.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.302 -0.258 . . . . 25.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.19 80.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.996 1.379 . . . . 25.0 114.625 -177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.74 40.11 0.81 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 -170.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -141.13 71.95 27.55 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 117.756 2.502 . . . . 25.0 117.756 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.19 22.08 0.97 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 N-CA-C 110.306 -0.69 . . . . 25.0 110.306 164.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.2 5.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.728 1.611 . . . . 25.0 114.588 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -137.29 29.2 2.74 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.274 0.63 . . . . 25.0 110.662 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 156.76 19.31 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.262 -1.384 . . . . 50.0 107.262 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.4 130.16 55.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.231 1.015 . . . . 25.0 112.537 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -121.43 129.74 53.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.27 119.02 35.58 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -126.91 16.13 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -67.94 -26.36 65.92 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.959 -0.463 . . . . 25.0 111.023 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.79 -8.5 58.09 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.0 mt -89.5 -13.44 37.46 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.78 4.47 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 109.22 -1.552 . . . . 25.0 109.22 -172.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 69.58 159.36 0.18 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.222 1.409 . . . . 25.0 109.351 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.5 p -119.64 -18.83 8.28 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.68 -177.54 17.23 Favored Glycine 0 CA--C 1.506 -0.517 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 tp -119.65 129.2 54.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.86 44.03 0.21 Allowed Glycine 0 C--O 1.222 -0.612 0 N-CA-C 110.839 -0.905 . . . . 25.0 110.839 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 58.33 27.19 14.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.59 80.15 Favored Glycine 0 CA--C 1.512 -0.11 0 N-CA-C 117.257 1.663 . . . . 25.0 117.257 169.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -126.8 170.25 12.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.879 0.84 . . . . 25.0 109.701 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.79 37.77 27.16 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.834 0.854 . . . . 25.0 109.489 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.26 -22.8 3.56 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 115.468 0.947 . . . . 25.0 115.468 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.0 p -68.71 173.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.461 0.63 . . . . 25.0 111.883 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 169.77 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.741 0.782 . . . . 25.0 110.261 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.45 152.99 38.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.61 144.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.8 p -144.97 158.06 43.93 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.1 134.44 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.97 122.32 39.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.101 -2.185 . . . . 25.0 105.101 176.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -79.76 -26.24 40.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.877 0.37 . . . . 25.0 111.97 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -68.29 -26.45 65.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.696 0.76 . . . . 25.0 109.57 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.17 -8.56 50.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.628 -0.989 . . . . 25.0 110.628 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.77 33.93 9.27 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.178 0.991 . . . . 25.0 111.557 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -129.23 155.65 45.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.423 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -131.21 114.14 14.7 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.55 146.03 26.86 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 111.494 -2.594 . . . . 25.0 109.849 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.29 126.77 32.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -157.9 170.5 22.18 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.8 t -124.24 147.18 48.26 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.16 -2.904 . . . . 25.0 103.16 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.4 9.43 2.7 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.01 -30.35 71.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.618 0.723 . . . . 25.0 110.383 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -131.77 139.31 48.9 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.88 -66.19 1.08 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.794 -1.094 . . . . 25.0 111.802 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 -31.14 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.979 0.895 . . . . 25.0 108.671 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.568 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 14.3 mp0 -72.34 -29.51 63.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.391 -1.277 . . . . 25.0 110.328 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.14 69.94 0.28 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.441 -1.863 . . . . 25.0 108.441 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 118.48 8.74 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 122.674 1.226 . . . . 25.0 109.806 -176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -98.57 165.62 11.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 112.859 -1.973 . . . . 25.0 109.79 -168.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 40.2 p90 -84.61 153.53 23.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.426 -0.806 . . . . 25.0 109.796 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -139.51 135.23 33.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.8 m -136.32 163.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.4 t -144.17 146.94 33.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.94 134.41 38.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -81.16 111.89 18.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.35 179.61 25.36 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 107.017 -2.433 . . . . 25.0 107.017 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.49 27.79 8.37 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 15.9 0.06 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.88 63.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.208 -1.775 . . . . 25.0 106.208 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.25 -10.33 59.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.151 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.64 37.84 3.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.857 -0.61 . . . . 25.0 109.538 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.6 113.26 9.45 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.0 p -158.34 165.06 35.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.09 67.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.197 0.522 . . . . 25.0 110.858 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -73.47 -34.43 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.044 -0.41 . . . . 25.0 110.588 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.34 -38.97 49.17 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.291 0.496 . . . . 25.0 112.072 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.6 mt -128.68 125.22 63.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.997 -0.439 . . . . 25.0 111.845 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.3 tp -93.8 130.2 39.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.097 -1.446 . . . . 25.0 107.097 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -145.99 169.07 19.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.42 29.21 3.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.674 0.749 . . . . 25.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.04 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 32.3 Cg_exo . . . . . 0 N--CA 1.459 -0.515 0 N-CA-C 115.533 1.32 . . . . 25.0 115.533 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 mt -82.29 131.64 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.164 -1.791 . . . . 25.0 106.164 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -86.18 111.66 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 122.727 1.251 . . . . 25.0 107.861 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.77 -137.69 3.38 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 113.457 -1.701 . . . . 25.0 111.255 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -125.36 170.22 11.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.258 0.551 . . . . 25.0 111.092 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -88.78 3.73 50.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 25.0 109.544 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.97 173.31 12.72 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.5 101.42 1.59 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -86.77 120.0 27.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.7 95.77 5.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 104.732 -2.322 . . . . 25.0 104.732 165.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.3 mt -138.58 153.93 48.69 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.14 148.76 50.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.769 0.795 . . . . 25.0 112.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.1 -40.2 2.15 Favored Glycine 0 C--O 1.225 -0.438 0 CA-C-N 113.759 -1.564 . . . . 25.0 110.651 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p 46.97 -148.53 0.14 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.089 -1.055 . . . . 25.0 111.76 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.58 -12.79 7.26 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -170.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 140.83 58.01 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 53.11 4.67 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 108.962 -1.655 . . . . 25.0 108.962 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.47 144.83 24.78 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 105.597 -2.001 . . . . 25.0 105.597 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO 0.311 3.0 tp10 -140.97 156.18 46.1 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 124.952 1.407 . . . . 75.0 113.764 -175.308 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.15 137.01 44.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 C-N-CA 123.888 0.875 . . . . 25.0 109.863 -162.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 t -114.04 154.79 27.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.62 78.08 0.07 OUTLIER Glycine 0 C--N 1.321 -0.292 0 C-N-CA 119.943 -1.122 . . . . 25.0 112.857 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -77.1 0.02 OUTLIER Glycine 0 C--O 1.238 0.372 0 N-CA-C 119.59 2.596 . . . . 25.0 119.59 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -177.27 14.03 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-O 122.745 1.191 . . . . 25.0 113.784 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.01 164.0 5.47 Favored Glycine 0 C--N 1.31 -0.894 0 N-CA-C 116.517 1.367 . . . . 25.0 116.517 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.02 81.48 5.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.62 152.02 34.08 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -129.1 104.18 7.41 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -125.22 121.42 34.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.8 136.14 49.59 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.33 -9.68 2.05 Favored Glycine 0 C--O 1.211 -1.328 0 C-N-CA 120.195 -1.002 . . . . 25.0 115.492 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 19.9 -97.57 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 119.597 3.184 . . . . 25.0 119.597 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.52 169.48 54.36 Favored Glycine 0 N--CA 1.462 0.421 0 O-C-N 121.01 -1.056 . . . . 25.0 115.547 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.09 162.66 20.06 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-O 121.499 0.499 . . . . 25.0 112.209 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.67 131.97 11.97 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.43 155.21 45.13 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 117.687 0.744 . . . . 50.0 110.127 -167.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.92 101.89 4.15 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.63 135.34 53.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.475 0.655 . . . . 25.0 112.409 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.7 116.75 20.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.477 -1.238 . . . . 25.0 107.723 172.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.72 -19.1 62.3 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 116.651 1.421 . . . . 25.0 116.651 -173.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.02 -158.45 41.45 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-O 125.284 2.602 . . . . 25.0 113.139 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 149.51 30.94 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 109.554 -3.323 . . . . 25.0 111.993 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.87 30.36 Favored Glycine 0 C--N 1.314 -0.67 0 CA-C-N 113.443 -1.708 . . . . 25.0 115.059 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -99.33 104.81 16.74 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.52 152.91 26.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.901 1.074 . . . . 50.0 113.901 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -119.62 109.77 16.06 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 106.992 -1.484 . . . . 25.0 106.992 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.9 mt -121.7 101.45 7.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.193 -0.942 . . . . 25.0 110.404 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.89 -7.81 1.75 Allowed Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.665 1.426 . . . . 25.0 116.665 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.93 -128.87 1.12 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-O 125.5 2.722 . . . . 25.0 119.225 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.53 141.97 45.98 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 109.425 -3.388 . . . . 25.0 111.992 -176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.41 160.7 34.5 Favored Glycine 0 C--O 1.245 0.792 0 N-CA-C 115.592 0.997 . . . . 25.0 115.592 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.61 66.0 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.7 154.94 41.01 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.237 -1.347 . . . . 50.0 109.504 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.1 m -112.19 105.96 14.43 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -99.81 123.38 44.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 102.235 -3.246 . . . . 25.0 102.235 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -125.32 144.77 50.33 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.932 0.872 . . . . 25.0 111.869 -164.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -120.19 102.04 8.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.926 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.81 1.84 37.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 91.43 8.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.212 -1.358 . . . . 25.0 110.739 -175.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -85.75 -71.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.337 0.866 . . . . 25.0 113.337 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -69.98 -19.77 63.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.406 1.098 . . . . 25.0 108.161 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -74.46 -8.32 55.9 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.919 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -133.61 36.84 3.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.155 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -102.61 166.64 10.4 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 154.16 48.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.208 1.188 . . . . 25.0 114.208 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.8 p -150.78 170.68 18.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.78 65.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.62 -6.79 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.675 0.75 . . . . 25.0 111.939 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.22 150.66 5.26 Favored Glycine 0 C--N 1.315 -0.616 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.887 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -118.45 141.11 48.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -125.77 92.49 3.61 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 103.219 -2.882 . . . . 25.0 103.219 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -124.98 177.97 5.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.416 -169.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.65 112.18 18.11 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mp -95.47 104.19 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -83.67 126.28 40.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -101.83 165.77 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 23.15 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.733 2.123 . . . . 25.0 116.733 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.25 39.91 1.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.679 -1.601 . . . . 25.0 114.746 -170.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -139.53 70.95 38.39 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.81 22.33 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.925 0 N-CA-C 110.082 -0.776 . . . . 25.0 110.082 164.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.34 7.44 0.93 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.639 1.576 . . . . 25.0 114.422 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -146.25 54.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.19 22.34 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -111.2 123.53 50.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.2 tp -112.58 125.08 53.88 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -115.53 116.49 28.26 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.585 -0.279 . . . . 25.0 110.366 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.38 15.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.081 -0.387 . . . . 25.0 111.821 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.46 -13.61 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 122.261 -0.275 . . . . 25.0 111.719 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -89.65 -13.09 37.79 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.64 -50.34 4.31 Favored Glycine 0 C--O 1.236 0.241 0 N-CA-C 109.581 -1.408 . . . . 25.0 109.581 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 67.18 171.13 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.893 1.277 . . . . 25.0 108.241 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.86 -33.44 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 178.67 17.13 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 107.683 -2.167 . . . . 25.0 107.683 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.72 40.78 3.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.297 1.048 . . . . 25.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.92 4.4 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.496 -0.774 . . . . 25.0 114.735 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 58.55 27.98 16.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.81 84.71 Favored Glycine 0 N--CA 1.457 0.093 0 N-CA-C 117.624 1.81 . . . . 25.0 117.624 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -127.18 171.14 11.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.745 0.772 . . . . 25.0 109.514 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 37.6 28.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.784 0.834 . . . . 25.0 109.727 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.17 -9.45 32.9 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.294 0.878 . . . . 25.0 115.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -78.92 171.63 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.766 0.783 . . . . 25.0 110.62 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.05 171.78 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.92 152.87 48.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 p -109.46 145.65 15.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.6 t -143.52 149.45 37.48 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.78 136.53 53.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.2 p -120.88 122.01 39.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.923 -1.88 . . . . 25.0 105.923 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.16 -31.86 49.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.169 0.509 . . . . 25.0 110.665 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -69.74 -26.32 64.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.672 0.749 . . . . 25.0 109.546 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.55 -8.84 59.37 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.293 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.13 30.9 5.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.154 0.981 . . . . 25.0 112.594 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -132.69 158.75 41.54 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -134.69 116.34 14.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 102.563 -3.125 . . . . 25.0 102.563 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.49 149.34 24.94 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 112.226 -2.261 . . . . 25.0 109.775 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.78 127.69 42.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -157.62 168.97 25.75 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.9 t -119.68 154.27 34.32 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 102.905 -2.998 . . . . 25.0 102.905 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.04 2.48 2.35 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.6 -33.34 75.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.689 0.757 . . . . 25.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 44.2 p -133.39 138.6 46.36 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -122.71 -67.99 0.92 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.239 -1.346 . . . . 25.0 111.651 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.7 -29.66 16.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 15.7 mp0 -73.58 -26.56 60.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.208 -1.36 . . . . 25.0 110.094 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.75 73.44 0.22 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 108.25 -1.94 . . . . 25.0 108.25 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 125.6 24.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -119.79 165.99 13.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.67 -1.604 . . . . 25.0 110.011 -162.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.94 152.63 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.037 0.446 . . . . 25.0 112.176 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.03 127.74 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.49 161.84 36.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.5 t -144.37 148.1 34.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -136.29 132.87 36.3 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -80.09 113.52 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.97 179.54 19.75 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 106.62 -2.592 . . . . 25.0 106.62 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -120.56 32.23 6.09 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 14.15 0.08 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.521 1.304 . . . . 25.0 114.521 -175.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -28.91 62.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.05 -11.24 60.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.591 -0.731 . . . . 25.0 109.033 174.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.01 37.28 3.71 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.536 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.93 115.97 10.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.7 p -160.1 164.68 32.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.51 69.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.058 0.456 . . . . 25.0 110.612 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.59 -33.29 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.22 -0.3 . . . . 25.0 110.297 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.98 -40.21 39.98 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.0 mt -128.84 124.44 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.05 131.69 44.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -140.99 168.69 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.92 31.27 3.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.387 0.613 . . . . 25.0 111.505 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.234 0.288 0 N-CA-C 115.335 1.244 . . . . 25.0 115.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.16 129.63 37.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.19 115.97 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 123.066 1.412 . . . . 25.0 107.829 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -138.06 2.96 Favored Glycine 0 C--N 1.313 -0.747 0 CA-C-N 112.791 -2.004 . . . . 25.0 110.577 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -122.57 166.68 14.43 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.463 -0.433 . . . . 25.0 110.518 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -86.05 2.19 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.416 0.627 . . . . 25.0 109.68 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.0 176.47 9.8 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.37 110.72 4.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.746 -1.575 . . . . 25.0 106.746 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -88.62 124.06 33.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.269 -1.011 . . . . 50.0 108.269 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -110.63 95.34 5.5 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.766 -3.05 . . . . 25.0 102.766 166.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.07 153.68 45.59 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -129.85 150.32 51.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.894 0.854 . . . . 25.0 111.393 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.69 -38.04 2.46 Favored Glycine 0 CA--C 1.496 -1.141 0 CA-C-N 114.106 -1.406 . . . . 25.0 111.593 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 p 47.27 -147.46 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.932 -1.134 . . . . 25.0 111.727 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.26 -10.7 7.33 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 116.493 2.034 . . . . 25.0 116.493 -170.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 140.06 57.17 Favored 'General case' 0 C--O 1.247 0.952 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.44 41.74 3.09 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -144.59 148.99 35.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.282 3.5 tp10 -140.74 154.06 46.16 Favored 'General case' 0 C--O 1.211 -0.927 0 C-N-CA 123.997 0.919 . . . . 75.0 113.453 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -96.54 139.11 20.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 113.859 -1.519 . . . . 25.0 111.125 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -115.82 149.05 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.4 76.32 0.09 OUTLIER Glycine 0 N--CA 1.463 0.495 0 C-N-CA 119.994 -1.098 . . . . 25.0 112.471 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.91 -78.06 0.02 OUTLIER Glycine 0 C--O 1.238 0.355 0 N-CA-C 119.327 2.491 . . . . 25.0 119.327 -167.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.34 -175.67 10.13 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-O 122.759 1.199 . . . . 25.0 113.602 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.52 165.96 4.86 Favored Glycine 0 C--N 1.31 -0.865 0 N-CA-C 116.78 1.472 . . . . 25.0 116.78 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.24 81.96 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.56 152.28 30.2 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.9 104.2 7.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -127.05 120.66 29.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 106.234 -1.765 . . . . 25.0 106.234 -170.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.35 136.31 50.65 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 106.349 -1.723 . . . . 25.0 106.349 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.68 -3.96 6.35 Favored Glycine 0 C--O 1.211 -1.315 0 CA-C-O 119.003 -0.887 . . . . 25.0 115.134 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 19.53 -99.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.642 2.46 . . . . 25.0 117.642 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.09 167.32 54.28 Favored Glycine 0 C--O 1.255 1.445 0 CA-C-O 122.605 1.114 . . . . 25.0 115.446 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.2 167.42 35.9 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.011 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.92 136.48 19.83 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 106.416 -2.673 . . . . 25.0 106.416 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -127.96 155.14 44.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.393 0.596 . . . . 50.0 109.934 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 48.4 mt -140.61 98.26 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.24 135.37 55.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 25.0 111.652 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 113.28 14.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.27 -1.752 . . . . 25.0 106.27 171.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.42 -19.53 76.28 Favored Glycine 0 C--O 1.236 0.255 0 N-CA-C 116.221 1.249 . . . . 25.0 116.221 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 72.86 -169.35 52.7 Favored Glycine 0 N--CA 1.421 -2.31 0 CA-C-O 124.834 2.352 . . . . 25.0 112.279 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.59 148.41 24.23 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 110.38 -2.91 . . . . 25.0 111.026 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.53 -176.19 27.39 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 113.586 -1.643 . . . . 25.0 114.524 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -97.38 104.29 16.3 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -111.88 154.81 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -118.23 107.26 13.7 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.2 102.0 8.65 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 111.476 0.176 . . . . 25.0 111.476 -172.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.4 137.53 38.7 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.409 -0.807 . . . . 25.0 109.774 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.02 -16.35 3.28 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.65 -130.76 35.21 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 125.857 2.92 . . . . 25.0 116.723 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.15 146.36 50.8 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 108.775 -3.712 . . . . 25.0 110.858 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.22 160.89 36.97 Favored Glycine 0 C--O 1.244 0.763 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.43 67.58 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.79 153.25 42.36 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.799 -1.546 . . . . 50.0 108.951 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 m -115.08 102.26 9.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -95.12 128.49 42.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -127.25 142.22 51.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.949 0.88 . . . . 25.0 112.207 -165.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -122.26 101.32 7.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.35 -1.295 . . . . 25.0 112.762 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.14 14.02 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 102.092 -3.299 . . . . 25.0 102.092 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.8 mt -86.25 76.13 9.75 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 113.307 -1.77 . . . . 25.0 112.406 -170.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -77.86 -73.72 0.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.006 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.15 -19.46 62.42 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.352 1.073 . . . . 25.0 108.388 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -75.5 -11.94 60.13 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 114.729 -1.123 . . . . 25.0 111.765 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 45.78 2.4 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.121 0.486 . . . . 25.0 110.363 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -102.45 163.51 12.19 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.251 0.548 . . . . 25.0 112.473 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -140.18 153.31 46.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -178.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -150.9 168.32 24.87 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.5 66.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.25 -5.62 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 25.0 111.981 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.53 150.86 5.29 Favored Glycine 0 C--N 1.316 -0.562 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.165 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.8 p -117.84 140.9 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.78 92.3 3.57 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -125.78 178.59 5.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.323 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -117.21 111.21 19.13 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.71 105.15 17.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -86.88 120.77 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.62 160.69 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.35 -0.219 . . . . 25.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.25 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 123.4 1.572 . . . . 25.0 114.238 -177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -149.05 36.32 0.76 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 113.264 -1.789 . . . . 25.0 114.875 -169.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.59 69.84 45.26 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 117.326 2.343 . . . . 25.0 117.326 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.66 21.89 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.818 0 N-CA-C 110.04 -0.792 . . . . 25.0 110.04 164.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p 58.76 8.29 0.91 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 25.0 114.233 -170.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -145.26 54.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.12 155.84 24.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 173.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -111.44 131.05 55.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.384 1.088 . . . . 25.0 113.523 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -121.92 132.82 54.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -119.06 118.76 32.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.624 -0.262 . . . . 25.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.7 13.49 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -68.85 -23.94 64.29 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.022 -0.424 . . . . 25.0 111.248 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.86 61.56 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.505 0.193 . . . . 25.0 111.455 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.78 -14.41 34.6 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.8 -50.92 4.48 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 t80 71.89 161.5 0.24 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.55 1.54 . . . . 25.0 109.089 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -117.09 -21.06 9.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.49 177.42 14.88 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.69 34.77 5.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.945 0.878 . . . . 25.0 110.904 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.35 57.44 3.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 59.36 27.02 16.01 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.759 1.763 . . . . 25.0 115.759 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.59 7.97 85.4 Favored Glycine 0 CA--C 1.513 -0.058 0 N-CA-C 117.768 1.867 . . . . 25.0 117.768 167.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -125.01 169.04 12.51 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.633 0.716 . . . . 25.0 109.512 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.99 37.87 26.72 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.915 0.886 . . . . 25.0 109.485 -173.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.05 -14.47 14.32 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.38 170.84 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.735 0.768 . . . . 25.0 110.603 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.18 171.82 7.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.45 152.77 45.96 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.37 142.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -145.12 145.23 31.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.6 128.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.8 p -120.94 125.23 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -75.36 -23.56 57.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.87 -26.76 66.18 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.68 0.752 . . . . 25.0 109.728 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.13 -10.05 46.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.289 -1.124 . . . . 25.0 110.289 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.08 32.17 9.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.152 0.981 . . . . 25.0 111.375 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -131.11 152.9 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.688 -0.687 . . . . 25.0 112.806 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -122.24 104.64 9.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -90.73 145.46 24.79 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 111.402 -2.635 . . . . 25.0 109.237 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.58 127.91 41.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -157.76 165.36 35.56 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.36 151.22 36.37 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.021 -3.326 . . . . 25.0 102.021 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.69 5.88 2.44 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 -176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.3 -33.49 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.536 0.684 . . . . 25.0 111.225 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.7 p -134.76 136.63 42.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 106.56 -1.644 . . . . 25.0 106.56 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -128.67 -73.37 0.58 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.124 -1.398 . . . . 25.0 110.346 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -29.02 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 19.3 mp0 -78.47 -22.93 46.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.275 -1.329 . . . . 25.0 111.203 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.04 81.25 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.527 -2.229 . . . . 25.0 107.527 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 118.63 8.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 123.205 1.478 . . . . 25.0 109.838 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -179.58 5.11 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 112.014 -2.357 . . . . 25.0 110.024 -164.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.3 156.3 17.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.54 132.2 19.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.8 m -138.7 163.51 27.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -148.18 146.53 28.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -132.05 133.68 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -79.18 116.04 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.03 179.61 19.17 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 106.687 -2.565 . . . . 25.0 106.687 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.7 32.36 6.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 16.47 0.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.1 64.77 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.895 -1.891 . . . . 25.0 105.895 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.58 -8.54 57.02 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.417 -0.811 . . . . 25.0 109.418 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.25 39.84 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.117 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.3 117.77 17.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.8 p -158.82 164.59 35.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.81 68.42 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.162 0.506 . . . . 25.0 110.814 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.9 -32.6 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.094 -0.379 . . . . 25.0 110.257 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -41.0 42.59 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.216 0.462 . . . . 25.0 111.866 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.9 mt -128.34 124.96 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.98 -0.45 . . . . 25.0 112.119 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 52.5 tp -94.75 130.75 41.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -147.79 168.65 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.43 29.89 2.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.573 0.701 . . . . 25.0 110.861 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.983 0.326 . . . . 25.0 112.7 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -82.13 127.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.91 113.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.785 1.278 . . . . 25.0 108.524 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.44 -136.32 2.85 Favored Glycine 0 C--N 1.317 -0.501 0 CA-C-N 113.429 -1.714 . . . . 25.0 109.943 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -132.04 169.58 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.135 -0.626 . . . . 25.0 110.675 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -88.28 3.96 47.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 25.0 109.49 173.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.18 176.33 9.58 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.597 -1.26 . . . . 25.0 107.597 170.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.03 111.09 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.63 121.74 37.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -112.88 95.07 5.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -135.76 153.9 51.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -127.53 150.29 49.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.795 0.807 . . . . 25.0 111.147 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.89 -37.73 2.68 Favored Glycine 0 CA--C 1.504 -0.652 0 CA-C-N 114.109 -1.405 . . . . 25.0 110.909 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.6 p 47.51 -148.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.082 -1.059 . . . . 25.0 111.679 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.24 -12.66 14.01 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -171.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 139.38 58.16 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.12 38.67 3.19 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.237 -1.145 . . . . 25.0 110.237 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -140.22 139.75 35.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.416 -2.439 . . . . 25.0 104.416 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 4.7 tp10 -140.83 154.08 46.05 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.373 2.36 . . . . 75.0 117.373 -167.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.4 mp -88.32 138.06 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 113.187 -1.824 . . . . 25.0 114.026 -165.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -114.17 149.73 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.58 69.95 0.08 OUTLIER Glycine 0 N--CA 1.465 0.572 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -32.25 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.459 0.221 0 N-CA-C 120.144 2.817 . . . . 25.0 120.144 -169.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.18 -176.07 10.31 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-O 122.626 1.125 . . . . 25.0 114.748 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.22 171.15 9.24 Favored Glycine 0 C--N 1.314 -0.671 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 83.39 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -78.88 153.12 30.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -130.25 103.97 7.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 169.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.88 118.27 25.11 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.81 136.2 50.22 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.62 -3.48 8.5 Favored Glycine 0 C--O 1.214 -1.11 0 CA-C-O 119.232 -0.76 . . . . 25.0 114.813 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 21.39 -105.75 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 118.045 2.609 . . . . 25.0 118.045 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.37 52.58 Favored Glycine 0 C--O 1.24 0.481 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.82 172.14 35.56 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-O 122.5 1.056 . . . . 25.0 112.228 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 134.31 15.21 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 107.943 -2.063 . . . . 25.0 107.943 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -127.19 151.67 48.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.754 0.777 . . . . 50.0 109.279 -171.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 76.3 mt -132.17 98.03 4.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 140.72 50.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -145.51 165.7 27.84 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.59 29.09 1.05 Allowed Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.305 -0.95 . . . . 25.0 112.855 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 23.41 -128.7 0.02 OUTLIER Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 118.413 2.125 . . . . 25.0 118.413 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 145.18 56.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 112.154 -2.023 . . . . 25.0 113.545 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.0 -171.81 23.96 Favored Glycine 0 C--N 1.316 -0.566 0 CA-C-N 113.517 -1.674 . . . . 25.0 116.619 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -100.38 110.59 22.81 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 102.405 -3.183 . . . . 25.0 102.405 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.04 158.57 26.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.851 -1.068 . . . . 50.0 112.896 -170.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -120.25 105.86 11.35 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.368 -1.716 . . . . 25.0 106.368 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -124.55 120.14 31.1 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.37 139.36 52.9 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.17 0.441 . . . . 25.0 111.856 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.84 -20.38 4.16 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 115.821 1.088 . . . . 25.0 115.821 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.91 43.59 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-O 125.649 2.805 . . . . 25.0 116.475 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 145.59 53.49 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 109.156 -3.522 . . . . 25.0 110.314 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.73 164.2 40.1 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.411 0.924 . . . . 25.0 115.411 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.68 67.9 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.21 154.55 39.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.762 -1.563 . . . . 50.0 109.013 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.3 m -113.08 108.84 17.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 25.0 110.216 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -85.15 135.73 33.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.829 -1.915 . . . . 25.0 105.829 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -119.97 125.57 48.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.546 0.689 . . . . 25.0 110.732 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -121.68 97.58 5.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.51 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.97 14.36 28.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.847 -2.279 . . . . 25.0 104.847 166.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 87.7 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.44 -1.255 . . . . 25.0 111.979 -171.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -83.89 -61.81 1.73 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.96 0.409 . . . . 25.0 110.913 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -67.37 -26.99 66.74 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.418 1.104 . . . . 25.0 109.96 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.93 -6.29 48.43 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.506 -1.225 . . . . 25.0 111.4 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -140.03 47.91 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 21.7 pt20 -102.21 164.32 11.75 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 -171.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.71 151.86 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.189 -0.914 . . . . 25.0 111.616 -177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.8 p -150.68 170.88 18.13 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.9 67.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.1 50.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.14 161.92 8.92 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.514 -0.766 . . . . 25.0 114.236 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -118.69 138.36 52.68 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.859 0.362 . . . . 25.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.82 92.4 3.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.946 -2.242 . . . . 25.0 104.946 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.6 p -125.39 166.66 16.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.64 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -94.83 117.34 29.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.239 0.543 . . . . 50.0 109.688 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.54 106.7 18.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.55 115.99 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.04 157.42 16.88 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.604 0.362 . . . . 25.0 110.207 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.8 78.74 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 123.284 1.516 . . . . 25.0 114.383 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.33 38.33 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.408 -1.723 . . . . 25.0 115.503 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.0 69.96 49.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.25 20.99 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 N-CA-C 110.177 -0.74 . . . . 25.0 110.177 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 58.78 7.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.54 1.536 . . . . 25.0 114.601 -171.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.97 54.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.24 155.44 22.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.028 -1.842 . . . . 50.0 106.028 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -111.16 134.85 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.329 1.061 . . . . 25.0 113.696 -175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.6 tp -126.85 131.53 51.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.53 116.65 28.53 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.697 0.284 . . . . 25.0 110.649 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.15 9.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -71.82 -15.69 62.15 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.189 -0.319 . . . . 25.0 111.332 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.12 -23.85 66.57 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.912 0.387 . . . . 25.0 110.872 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.26 -2.91 26.41 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.83 -39.51 2.73 Favored Glycine 0 C--N 1.319 -0.413 0 CA-C-N 113.906 -1.497 . . . . 25.0 111.868 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.6 t80 69.66 163.98 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.313 1.445 . . . . 25.0 108.573 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 p -114.3 -27.66 7.53 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.51 173.14 13.22 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 107.92 -2.072 . . . . 25.0 107.92 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -121.41 32.47 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.352 1.076 . . . . 25.0 110.391 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.6 59.38 3.35 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 116.179 1.232 . . . . 25.0 116.179 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 60.67 25.69 15.45 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.98 81.85 Favored Glycine 0 CA--C 1.512 -0.155 0 N-CA-C 118.153 2.021 . . . . 25.0 118.153 165.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -125.42 167.93 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.765 0.782 . . . . 25.0 109.452 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.48 38.88 28.27 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 25.0 109.644 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.81 -15.41 15.04 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.387 -0.824 . . . . 25.0 115.125 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -73.04 171.86 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.722 0.761 . . . . 25.0 110.593 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.76 170.3 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.22 152.86 40.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.98 144.16 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -145.65 152.22 39.29 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.21 133.31 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.19 40.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -79.34 -26.94 42.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.161 0.505 . . . . 25.0 111.097 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.59 -26.4 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 25.0 109.504 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.71 -9.19 53.28 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.742 -0.943 . . . . 25.0 110.742 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.1 33.47 12.21 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.156 0.982 . . . . 25.0 111.454 -176.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -132.16 151.93 51.54 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -122.0 104.82 9.78 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -88.32 143.31 27.09 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 111.301 -2.681 . . . . 25.0 109.412 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.91 127.65 42.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -157.7 164.52 37.05 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.1 t -117.78 148.76 41.76 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 102.26 -3.237 . . . . 25.0 102.26 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.79 4.7 3.33 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.35 0.595 . . . . 25.0 111.439 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.3 p -133.03 130.28 39.2 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -128.33 -75.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.909 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.51 62.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 21.3 mp0 -78.03 -22.23 49.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.381 -1.282 . . . . 25.0 111.239 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.48 79.61 0.06 OUTLIER Glycine 0 C--O 1.224 -0.501 0 N-CA-C 109.831 -1.308 . . . . 25.0 109.831 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 126.28 27.22 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.774 1.273 . . . . 25.0 110.749 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -179.79 5.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 112.447 -2.16 . . . . 25.0 110.365 -167.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 42.5 p90 -110.85 159.82 17.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.028 0.442 . . . . 25.0 110.574 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -142.61 139.14 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 -174.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.62 163.53 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.9 t -145.38 142.15 29.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.75 130.72 52.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.68 113.89 14.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.46 -179.98 19.79 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 106.87 -2.492 . . . . 25.0 106.87 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -121.32 34.43 5.2 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 17.96 0.06 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.139 0.971 . . . . 25.0 113.494 -175.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.39 66.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 170.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.53 -6.05 56.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.376 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.9 42.3 3.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.264 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.4 124.98 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -161.81 166.15 26.82 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.77 -29.66 67.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.204 0.526 . . . . 25.0 110.822 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.61 -31.42 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.88 -0.513 . . . . 25.0 109.829 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.55 -41.63 45.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.104 0.411 . . . . 25.0 111.772 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.25 124.49 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 121.564 -0.71 . . . . 25.0 112.261 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.68 128.76 37.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -142.59 168.61 19.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.422 -1.696 . . . . 25.0 106.422 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.73 31.64 3.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.396 0.617 . . . . 25.0 111.005 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.234 0.317 0 N-CA-C 113.803 0.655 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mt -82.16 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -90.13 114.33 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-O 122.868 1.318 . . . . 25.0 107.525 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 -138.68 3.56 Favored Glycine 0 C--N 1.315 -0.632 0 CA-C-N 113.086 -1.87 . . . . 25.0 110.553 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -124.66 165.5 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.952 0.406 . . . . 25.0 110.492 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -86.04 2.07 47.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.39 0.614 . . . . 25.0 109.832 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.69 175.52 10.54 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 170.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.38 110.87 3.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.552 -1.647 . . . . 25.0 106.552 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -87.73 127.2 35.31 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 107.76 -1.2 . . . . 50.0 107.76 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -114.77 94.97 5.0 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 102.711 -3.07 . . . . 25.0 102.711 166.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.63 153.41 46.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -129.45 149.22 51.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 25.0 111.528 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.35 -40.04 1.99 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 114.035 -1.439 . . . . 25.0 111.385 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.0 p 45.25 -143.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.353 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.58 -11.45 7.17 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 138.32 58.0 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.26 44.3 3.35 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 109.682 -1.367 . . . . 25.0 109.682 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -149.85 153.85 37.42 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 103.828 -2.656 . . . . 25.0 103.828 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.1 tp10 -140.69 -179.9 6.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.842 0.353 . . . . 75.0 111.944 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.507 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.7 mp -116.01 139.33 43.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 25.0 112.657 -167.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.1 t -112.81 148.39 34.94 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.73 72.83 0.1 OUTLIER Glycine 0 N--CA 1.46 0.3 0 C-N-CA 120.217 -0.992 . . . . 25.0 112.368 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.94 -76.09 0.03 OUTLIER Glycine 0 C--O 1.238 0.378 0 N-CA-C 119.511 2.565 . . . . 25.0 119.511 -168.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.42 11.05 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-O 122.691 1.162 . . . . 25.0 114.011 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.59 165.43 4.66 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.57 81.6 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.59 150.93 32.65 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -129.11 104.1 7.36 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -127.24 121.2 30.55 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -111.11 136.05 50.72 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -6.52 3.58 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-O 119.11 -0.828 . . . . 25.0 115.097 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 16.47 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 118.708 2.855 . . . . 25.0 118.708 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.43 164.32 54.14 Favored Glycine 0 C--O 1.251 1.209 0 O-C-N 120.908 -1.12 . . . . 25.0 115.6 -175.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.96 167.77 33.62 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.33 133.34 12.69 Favored Glycine 0 C--N 1.314 -0.65 0 N-CA-C 107.071 -2.411 . . . . 25.0 107.071 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -126.7 153.6 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.355 0.578 . . . . 50.0 111.207 -169.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.17 98.48 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.65 133.08 53.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.543 0.942 . . . . 25.0 113.543 -171.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.36 117.79 22.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.69 -1.596 . . . . 25.0 106.69 172.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.37 -16.64 68.46 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.72 1.448 . . . . 25.0 116.72 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.35 -158.04 43.24 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-O 125.359 2.644 . . . . 25.0 113.056 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 148.55 32.61 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 109.439 -3.38 . . . . 25.0 112.104 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.34 -172.84 29.45 Favored Glycine 0 C--N 1.312 -0.755 0 CA-C-N 113.572 -1.649 . . . . 25.0 115.1 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -99.7 105.77 17.62 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -112.58 152.92 28.32 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 -170.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -118.87 109.21 15.75 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -120.88 107.04 12.23 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.353 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.74 142.69 33.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.231 -0.918 . . . . 25.0 110.507 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.07 -8.1 1.66 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.92 -125.79 1.84 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-O 125.146 2.525 . . . . 25.0 118.539 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.13 144.82 39.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 109.669 -3.266 . . . . 25.0 111.937 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.81 161.07 37.14 Favored Glycine 0 C--O 1.245 0.808 0 N-CA-C 115.662 1.025 . . . . 25.0 115.662 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.64 65.81 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.39 152.56 44.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.19 -1.368 . . . . 50.0 109.408 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.5 m -110.45 96.12 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.612 -0.885 . . . . 25.0 108.612 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -90.56 122.44 33.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 102.368 -3.197 . . . . 25.0 102.368 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.94 147.22 50.11 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 122.074 0.94 . . . . 25.0 112.094 -164.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.32 102.06 8.22 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.323 -1.308 . . . . 25.0 111.66 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.95 1.33 36.6 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 161.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.42 91.83 8.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.192 -1.367 . . . . 25.0 110.462 -176.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -85.93 -72.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.244 -0.889 . . . . 25.0 113.003 -173.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -70.52 -18.67 62.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.428 1.109 . . . . 25.0 108.179 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.24 -7.7 54.6 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 114.48 -1.236 . . . . 25.0 111.903 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 36.21 3.67 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.753 -0.658 . . . . 25.0 110.149 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.13 165.09 11.35 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.36 152.31 48.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -178.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.98 168.98 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.342 -1.725 . . . . 25.0 106.342 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.06 66.42 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.26 50.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.522 0.677 . . . . 25.0 112.009 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.15 152.8 5.7 Favored Glycine 0 C--N 1.316 -0.554 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.368 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.9 p -118.73 142.08 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -124.94 92.18 3.59 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 104.06 -2.57 . . . . 25.0 104.06 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -122.45 177.17 5.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.759 -0.655 . . . . 25.0 110.679 -170.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.44 112.51 18.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.17 105.39 17.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -85.55 122.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.44 159.91 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.62 79.91 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.059 1.409 . . . . 25.0 114.584 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.24 39.79 0.76 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -169.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.67 72.65 24.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 117.716 2.487 . . . . 25.0 117.716 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -87.73 22.76 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 110.324 -0.683 . . . . 25.0 110.324 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.63 7.96 1.16 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.665 1.586 . . . . 25.0 114.136 -171.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -146.12 55.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.49 155.95 23.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.858 -1.904 . . . . 50.0 105.858 174.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -111.24 125.13 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.175 0.988 . . . . 25.0 113.421 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 tp -114.43 125.05 53.39 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.063 -1.829 . . . . 25.0 106.063 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -116.1 119.53 36.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.792 -0.186 . . . . 25.0 110.67 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.41 13.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.1 p -66.01 -30.03 70.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.195 0.443 . . . . 25.0 112.195 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.91 61.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.58 -14.82 36.68 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.89 -50.78 4.22 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 109.131 -1.587 . . . . 25.0 109.131 -171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.6 t80 68.5 167.76 0.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.882 1.273 . . . . 25.0 109.037 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.3 p -121.16 -20.87 6.61 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 -174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.34 176.74 14.54 Favored Glycine 0 CA--C 1.507 -0.407 0 N-CA-C 108.864 -1.694 . . . . 25.0 108.864 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -125.44 34.72 4.88 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.15 0.975 . . . . 25.0 111.093 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.51 58.36 3.75 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.24 -0.891 . . . . 25.0 115.127 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 58.74 27.42 15.92 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.61 1.708 . . . . 25.0 115.61 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.89 9.78 83.96 Favored Glycine 0 CA--C 1.512 -0.123 0 N-CA-C 117.618 1.807 . . . . 25.0 117.618 168.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -126.2 168.88 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.737 0.769 . . . . 25.0 109.417 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.91 37.87 26.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.953 0.901 . . . . 25.0 109.588 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.3 -15.18 12.77 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.01 171.45 12.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.578 0.689 . . . . 25.0 110.303 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.14 171.79 7.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.17 152.79 44.01 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.696 -1.964 . . . . 25.0 105.696 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.89 142.58 24.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.786 -1.931 . . . . 25.0 105.786 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.6 t -144.88 150.65 37.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.17 132.8 63.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.39 122.22 40.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -78.81 -26.33 44.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.025 0.44 . . . . 25.0 111.133 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -68.37 -26.79 65.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.612 0.72 . . . . 25.0 109.524 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.69 52.24 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.52 -1.032 . . . . 25.0 110.52 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 32.33 10.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.236 1.015 . . . . 25.0 111.45 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -131.55 152.84 50.44 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -123.3 105.86 10.21 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.147 -2.538 . . . . 25.0 104.147 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.13 145.28 24.81 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 111.302 -2.681 . . . . 25.0 109.349 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.8 125.39 37.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -157.94 168.91 25.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -118.64 155.21 31.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 102.554 -3.128 . . . . 25.0 102.554 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.0 0.41 2.16 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 113.259 0.837 . . . . 25.0 113.259 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.95 -34.12 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.514 0.674 . . . . 25.0 110.873 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.1 p -133.16 133.64 43.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -127.95 -73.82 0.59 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.955 -1.475 . . . . 25.0 110.018 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.57 -28.87 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.18 -1.044 . . . . 25.0 108.18 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 21.6 mp0 -77.87 -21.05 51.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.207 -1.361 . . . . 25.0 111.08 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.74 82.33 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 107.909 -2.076 . . . . 25.0 107.909 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 118.01 7.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.959 1.361 . . . . 25.0 109.83 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -179.87 5.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.397 -2.183 . . . . 25.0 110.484 -166.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.69 157.76 16.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.766 -0.197 . . . . 25.0 111.443 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.01 129.76 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.06 164.18 25.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 106.816 -1.55 . . . . 25.0 106.816 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -134.33 131.66 38.6 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.82 114.01 17.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.26 -179.84 20.46 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.989 -2.444 . . . . 25.0 106.989 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.89 30.36 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 13.31 0.09 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.1 62.5 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 106.489 -1.671 . . . . 25.0 106.489 170.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.19 -11.84 60.4 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.505 -0.771 . . . . 25.0 108.923 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -114.34 37.53 3.34 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.766 -0.652 . . . . 25.0 109.435 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.51 115.19 9.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.8 p -159.85 164.68 33.42 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.2 69.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.106 0.479 . . . . 25.0 110.666 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.035 -0.415 . . . . 25.0 110.446 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -78.48 -37.63 42.91 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.06 127.47 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 112.816 0.672 . . . . 25.0 112.816 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.38 132.31 47.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.247 -1.39 . . . . 25.0 107.247 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.4 168.0 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.83 30.06 2.08 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.586 0.708 . . . . 25.0 110.844 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 C--O 1.236 0.376 0 N-CA-C 114.652 0.982 . . . . 25.0 114.652 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.6 131.82 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.57 114.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 123.143 1.449 . . . . 25.0 107.761 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.24 -137.29 2.55 Favored Glycine 0 C--N 1.314 -0.693 0 CA-C-N 112.693 -2.049 . . . . 25.0 110.094 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -127.56 164.57 21.68 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.375 -0.485 . . . . 25.0 109.804 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -85.82 2.53 45.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.441 0.639 . . . . 25.0 109.818 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.54 176.79 9.48 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 170.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.46 112.28 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.01 132.33 34.79 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -119.66 95.31 4.73 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 102.447 -3.168 . . . . 25.0 102.447 165.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -140.9 153.86 45.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -130.71 148.98 52.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.962 0.886 . . . . 25.0 111.886 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -40.88 1.8 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 113.88 -1.509 . . . . 25.0 111.005 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.3 p 46.04 -145.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.808 -1.196 . . . . 25.0 111.365 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.71 -8.53 4.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.792 2.145 . . . . 25.0 116.792 -170.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 137.73 58.14 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.49 45.96 3.59 Favored Glycine 0 C--O 1.224 -0.474 0 N-CA-C 110.407 -1.077 . . . . 25.0 110.407 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -151.39 157.33 42.27 Favored 'General case' 0 C--O 1.248 1.001 0 N-CA-C 104.305 -2.48 . . . . 25.0 104.305 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.68 -179.64 6.16 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -115.51 139.94 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 123.045 0.538 . . . . 25.0 111.322 -168.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 t -113.76 146.98 39.09 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.33 -1.73 . . . . 25.0 106.33 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.23 69.12 0.1 OUTLIER Glycine 0 N--CA 1.461 0.319 0 C-N-CA 120.036 -1.078 . . . . 25.0 112.359 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.09 -73.21 0.05 OUTLIER Glycine 0 C--O 1.238 0.356 0 N-CA-C 119.751 2.66 . . . . 25.0 119.751 -168.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.47 -176.69 11.83 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 122.659 1.144 . . . . 25.0 114.017 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.33 165.05 4.19 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 117.083 1.593 . . . . 25.0 117.083 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.04 81.18 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.43 151.18 31.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -169.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.62 104.86 7.9 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -126.56 123.29 37.38 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 104.782 -2.303 . . . . 25.0 104.782 -170.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -110.89 135.88 50.76 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.168 -1.79 . . . . 25.0 106.168 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.7 -9.69 2.21 Favored Glycine 0 C--O 1.21 -1.366 0 N-CA-C 115.496 0.958 . . . . 25.0 115.496 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 20.88 -101.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 118.008 2.595 . . . . 25.0 118.008 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.47 167.29 54.75 Favored Glycine 0 C--O 1.256 1.478 0 N-CA-C 115.879 1.111 . . . . 25.0 115.879 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.38 166.69 34.9 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 114.179 -1.01 . . . . 25.0 110.663 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.04 132.4 12.14 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.131 -2.388 . . . . 25.0 107.131 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -126.75 152.78 46.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.094 0.447 . . . . 50.0 111.138 -170.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -137.48 99.91 4.08 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.65 135.07 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.765 1.024 . . . . 25.0 113.765 -170.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.2 115.14 17.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 172.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -17.75 66.44 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 116.539 1.376 . . . . 25.0 116.539 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.17 -155.95 42.25 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.58 2.767 . . . . 25.0 113.765 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 148.6 35.29 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 109.16 -3.52 . . . . 25.0 112.086 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.22 -173.68 30.42 Favored Glycine 0 C--N 1.312 -0.765 0 CA-C-N 113.548 -1.66 . . . . 25.0 115.278 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -97.83 104.19 16.19 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 105.063 -2.199 . . . . 25.0 105.063 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -111.26 151.03 28.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.92 1.081 . . . . 50.0 113.92 -170.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -119.39 109.36 15.67 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.49 100.73 7.19 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 -171.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.29 145.36 24.51 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.215 -0.928 . . . . 25.0 110.584 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -5.29 1.31 Allowed Glycine 0 C--O 1.227 -0.328 0 N-CA-C 116.867 1.507 . . . . 25.0 116.867 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 32.45 -128.61 0.28 Allowed Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 119.989 2.756 . . . . 25.0 119.989 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.01 143.04 44.68 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 109.598 -3.301 . . . . 25.0 111.488 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.95 160.02 32.68 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 115.406 0.922 . . . . 25.0 115.406 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.13 67.67 8.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.594 -1.261 . . . . 25.0 107.594 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -70.54 158.35 36.27 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.743 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.3 m -115.8 107.13 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -100.58 123.54 44.93 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 102.71 -3.07 . . . . 25.0 102.71 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.47 144.26 50.62 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 121.806 0.812 . . . . 25.0 112.089 -165.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -120.37 101.99 8.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.533 -1.212 . . . . 25.0 112.317 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.43 2.86 39.82 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.465 -2.42 . . . . 25.0 104.465 162.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.59 93.44 9.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.118 -1.401 . . . . 25.0 110.679 -175.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -85.35 -72.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -71.29 -17.93 62.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.701 1.239 . . . . 25.0 107.665 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -75.04 -10.05 59.11 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 114.004 -1.453 . . . . 25.0 112.239 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.42 33.4 4.31 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.03 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.06 165.48 11.14 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.82 157.04 47.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.8 p -150.55 167.43 27.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.26 65.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -6.09 49.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 25.0 112.057 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.25 147.5 4.54 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.563 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.93 142.52 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.96 92.08 3.52 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 103.395 -2.817 . . . . 25.0 103.395 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -121.92 176.92 5.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.919 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.65 110.27 15.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.7 104.14 16.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -84.28 126.07 40.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.8 165.08 11.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 21.77 80.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.828 2.159 . . . . 25.0 116.828 -173.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.5 41.14 1.46 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.009 -1.45 . . . . 25.0 114.456 -170.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -138.6 71.19 44.51 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 117.528 2.418 . . . . 25.0 117.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -88.28 21.41 1.01 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 N-CA-C 110.058 -0.785 . . . . 25.0 110.058 164.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.1 6.29 0.67 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.739 1.616 . . . . 25.0 114.57 -170.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -145.46 53.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.86 155.46 20.78 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.602 -1.999 . . . . 50.0 105.602 174.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -111.05 129.68 55.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.236 1.017 . . . . 25.0 113.371 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 tp -120.04 133.24 55.59 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 174.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -122.22 117.41 26.1 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.242 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.12 13.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.0 p -67.46 -26.97 66.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.051 -0.405 . . . . 25.0 111.85 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.2 -15.39 62.46 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.657 0.265 . . . . 25.0 111.531 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.67 -11.3 40.18 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.04 -51.31 4.4 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 -171.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 t80 66.56 168.53 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.085 1.354 . . . . 25.0 109.987 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -119.07 -31.69 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.6 177.79 15.17 Favored Glycine 0 CA--C 1.509 -0.339 0 N-CA-C 108.871 -1.692 . . . . 25.0 108.871 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.36 36.6 4.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.07 0.938 . . . . 25.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.56 56.81 3.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.64 1.016 . . . . 25.0 115.64 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 59.73 26.2 15.29 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.881 1.808 . . . . 25.0 115.881 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.55 83.13 Favored Glycine 0 C--O 1.229 -0.177 0 N-CA-C 117.992 1.957 . . . . 25.0 117.992 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -123.8 167.64 13.79 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.818 0.809 . . . . 25.0 109.558 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.43 38.9 28.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.835 0.854 . . . . 25.0 109.783 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.77 -11.58 26.43 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.373 -0.831 . . . . 25.0 115.137 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.4 p -75.65 172.54 12.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.724 0.762 . . . . 25.0 110.504 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.08 168.57 9.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.03 152.84 39.35 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.43 140.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t -145.51 151.18 37.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.793 -1.929 . . . . 25.0 105.793 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.94 133.25 63.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.69 122.11 39.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.717 -1.957 . . . . 25.0 105.717 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -78.99 -23.35 44.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.723 -173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.85 -26.4 65.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.76 0.79 . . . . 25.0 109.397 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.36 -9.4 50.96 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.159 -1.176 . . . . 25.0 110.159 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.45 31.56 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.309 1.044 . . . . 25.0 111.351 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -130.25 149.13 52.08 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.2 t -118.1 103.9 10.32 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 103.841 -2.652 . . . . 25.0 103.841 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -88.19 140.61 29.3 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 111.163 -2.744 . . . . 25.0 109.252 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -127.87 122.43 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -157.82 167.0 31.25 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 t -114.3 153.51 29.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 103.69 -2.707 . . . . 25.0 103.69 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 3.24 2.65 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.3 -32.4 73.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.579 0.704 . . . . 25.0 110.581 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.7 p -135.14 139.85 44.95 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 104.697 -2.335 . . . . 25.0 104.697 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -113.05 -73.8 0.65 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.918 -1.037 . . . . 25.0 113.554 -174.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.74 -38.22 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.094 0.949 . . . . 25.0 108.693 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.4 mp0 -67.47 -30.53 70.26 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 113.973 -1.467 . . . . 25.0 110.429 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.42 64.34 0.54 Allowed Glycine 0 CA--C 1.501 -0.788 0 N-CA-C 106.66 -2.576 . . . . 25.0 106.66 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 119.82 10.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.339 1.066 . . . . 25.0 108.396 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.4 p -120.15 166.09 13.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.838 -1.983 . . . . 25.0 110.844 -160.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -64.56 148.55 50.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.34 125.6 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.683 -1.228 . . . . 25.0 107.683 171.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.66 165.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -145.55 148.69 33.46 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 tt -133.16 129.58 38.03 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.488 -1.301 . . . . 25.0 107.488 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -79.6 115.64 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.62 179.47 19.46 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 106.047 -2.821 . . . . 25.0 106.047 -174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.54 35.98 4.74 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 -176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 17.86 0.06 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 122.126 0.965 . . . . 25.0 113.415 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.71 64.97 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 170.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.31 -6.85 57.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.259 -0.882 . . . . 25.0 109.457 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.4 42.36 3.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.373 0.606 . . . . 25.0 110.265 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.65 124.55 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.6 p -162.39 165.91 25.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.57 67.72 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.092 0.472 . . . . 25.0 110.878 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.48 -31.55 65.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.998 -0.438 . . . . 25.0 109.976 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.84 -41.28 44.72 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.039 0.381 . . . . 25.0 111.773 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mt -128.96 124.91 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.772 -0.58 . . . . 25.0 112.545 -175.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.05 167.27 22.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.76 32.54 4.35 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.337 0.589 . . . . 25.0 111.319 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 107.052 -1.462 . . . . 25.0 107.052 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.461 -0.438 0 N-CA-C 115.027 1.126 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.32 131.92 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -85.33 114.04 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.033 1.397 . . . . 25.0 107.904 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.18 -136.31 1.91 Allowed Glycine 0 C--N 1.314 -0.665 0 CA-C-N 112.921 -1.945 . . . . 25.0 109.856 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -131.19 170.52 14.46 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.187 -0.596 . . . . 25.0 110.016 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -87.74 4.42 44.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.633 0.73 . . . . 25.0 109.299 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -80.19 175.65 10.46 Favored 'General case' 0 C--O 1.251 1.158 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 170.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -68.76 101.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 173.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.82 119.46 23.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -109.19 95.07 5.38 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 102.956 -2.979 . . . . 25.0 102.956 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -140.95 153.84 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.97 149.6 50.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.825 0.821 . . . . 25.0 111.202 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.82 -39.32 2.04 Favored Glycine 0 CA--C 1.5 -0.879 0 CA-C-N 114.06 -1.427 . . . . 25.0 111.338 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 p 48.22 -145.46 0.33 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.209 -0.995 . . . . 25.0 111.214 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.77 -7.16 6.99 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 138.38 58.25 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.3 3.12 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 110.525 -1.03 . . . . 25.0 110.525 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -152.26 149.56 28.84 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 104.795 -2.298 . . . . 25.0 104.795 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.308 2.2 tp10 -140.65 156.51 46.22 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.469 1.655 . . . . 75.0 115.469 -168.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.65 140.68 15.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.646 -1.161 . . . . 25.0 113.363 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -115.34 149.94 37.09 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 105.145 -2.168 . . . . 25.0 105.145 171.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.38 74.7 0.05 OUTLIER Glycine 0 N--CA 1.469 0.867 0 CA-C-N 119.674 1.125 . . . . 25.0 114.033 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.41 -74.13 0.07 OUTLIER Glycine 0 C--O 1.235 0.213 0 N-CA-C 120.632 3.013 . . . . 25.0 120.632 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.19 -176.07 10.33 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.498 1.055 . . . . 25.0 115.083 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.53 169.23 8.09 Favored Glycine 0 C--N 1.314 -0.67 0 N-CA-C 116.521 1.368 . . . . 25.0 116.521 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.7 81.8 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.89 148.76 38.04 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.17 104.35 7.01 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.161 -2.163 . . . . 25.0 105.161 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.49 120.43 28.3 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.22 136.27 50.55 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -3.86 4.36 Favored Glycine 0 C--O 1.212 -1.248 0 C-N-CA 120.169 -1.015 . . . . 25.0 114.7 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 16.58 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.84 167.03 54.67 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 116.108 1.203 . . . . 25.0 116.108 -174.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.33 163.52 26.19 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 117.845 0.823 . . . . 25.0 113.082 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.66 132.97 12.44 Favored Glycine 0 C--O 1.216 -1.006 0 N-CA-C 106.594 -2.602 . . . . 25.0 106.594 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -129.0 154.85 46.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.295 1.548 . . . . 50.0 110.794 -167.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.85 98.02 3.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.02 140.85 52.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.737 -0.665 . . . . 25.0 111.76 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.14 160.35 41.08 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.65 33.57 1.18 Allowed Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.144 -1.027 . . . . 25.0 113.888 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.95 -127.71 0.01 OUTLIER Glycine 0 C--O 1.238 0.357 0 N-CA-C 120.623 3.009 . . . . 25.0 120.623 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 146.53 52.9 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 112.157 -2.021 . . . . 25.0 112.649 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -172.06 24.68 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 113.647 -1.615 . . . . 25.0 115.886 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -101.92 110.51 22.5 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 103.39 -2.819 . . . . 25.0 103.39 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -119.29 155.84 31.07 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -122.77 107.01 11.43 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.59 109.45 15.26 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.56 143.45 33.7 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.4 -0.812 . . . . 25.0 110.09 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.48 -11.38 1.73 Allowed Glycine 0 C--O 1.222 -0.624 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.36 -128.98 7.11 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-O 125.745 2.858 . . . . 25.0 118.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -60.54 144.21 52.01 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 109.093 -3.554 . . . . 25.0 111.175 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.35 161.31 35.79 Favored Glycine 0 C--O 1.244 0.761 0 N-CA-C 115.669 1.028 . . . . 25.0 115.669 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.24 67.51 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.75 154.6 41.75 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.769 -1.559 . . . . 50.0 109.401 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -113.91 108.79 17.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 104.176 -2.528 . . . . 25.0 104.176 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -115.35 134.63 54.93 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.47 0.652 . . . . 25.0 111.485 -165.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -120.48 98.74 6.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.471 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.07 4.09 36.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.759 -2.311 . . . . 25.0 104.759 165.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.35 93.02 8.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.205 -1.361 . . . . 25.0 110.794 -175.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -84.41 -72.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.42 -19.36 62.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.795 1.283 . . . . 25.0 107.844 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -76.57 -9.19 58.48 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 114.081 -1.418 . . . . 25.0 112.235 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.16 33.29 4.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.769 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -101.99 165.43 11.18 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -136.66 156.3 48.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 178.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.51 167.45 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 171.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.27 64.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.66 -6.25 49.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.802 0.811 . . . . 25.0 111.992 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.48 147.14 4.46 Favored Glycine 0 C--N 1.316 -0.555 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.295 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.7 p -118.56 142.86 47.21 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -123.78 92.17 3.62 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 103.074 -2.935 . . . . 25.0 103.074 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 p -126.59 166.43 17.32 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.728 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.23 105.11 17.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.628 -1.249 . . . . 25.0 107.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.57 124.02 39.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 106.997 -1.482 . . . . 25.0 106.997 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.8 mt -101.87 165.74 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 22.31 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.57 42.91 1.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 115.545 1.683 . . . . 25.0 115.545 -170.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -140.29 71.41 33.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.942 2.571 . . . . 25.0 117.942 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.64 21.88 0.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 N-CA-C 110.135 -0.756 . . . . 25.0 110.135 163.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.3 3.91 0.42 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.855 1.662 . . . . 25.0 115.098 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -138.67 32.85 2.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.305 0.642 . . . . 25.0 110.901 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.21 155.14 20.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 50.0 106.962 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.31 131.08 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.202 1.001 . . . . 25.0 113.327 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 tp -121.71 130.48 53.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.13 111.64 19.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.13 14.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -67.78 -26.18 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.98 -0.45 . . . . 25.0 111.111 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.66 -17.32 62.85 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.665 0.269 . . . . 25.0 111.491 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 mt -89.85 -13.42 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.02 -51.14 4.51 Favored Glycine 0 C--O 1.236 0.22 0 N-CA-C 108.95 -1.66 . . . . 25.0 108.95 -170.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 67.26 168.89 0.25 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.216 1.406 . . . . 25.0 109.236 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -121.26 -23.37 5.75 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.97 179.88 16.11 Favored Glycine 0 CA--C 1.508 -0.382 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.76 38.42 4.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 122.096 0.95 . . . . 25.0 111.694 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.41 57.01 4.45 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.334 -0.848 . . . . 25.0 114.956 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 58.82 28.36 17.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.21 8.23 83.97 Favored Glycine 0 N--CA 1.458 0.102 0 N-CA-C 117.802 1.881 . . . . 25.0 117.802 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -125.72 168.61 13.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.775 0.788 . . . . 25.0 109.399 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.11 37.69 26.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.92 0.888 . . . . 25.0 109.493 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.51 -15.04 10.11 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 115.421 0.929 . . . . 25.0 115.421 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -72.79 171.91 11.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.608 0.704 . . . . 25.0 110.466 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.31 169.24 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.82 152.85 39.09 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.3 144.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.1 t -146.91 150.96 36.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.899 . . . . 25.0 105.871 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.78 131.79 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.99 122.28 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -76.54 -29.18 56.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.098 0.475 . . . . 25.0 111.28 -175.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -67.97 -26.7 66.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.414 0.626 . . . . 25.0 109.908 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.31 -9.89 52.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.691 -0.964 . . . . 25.0 110.691 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.25 33.29 12.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.131 0.972 . . . . 25.0 111.212 -175.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -132.43 155.95 47.57 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.481 -0.781 . . . . 25.0 112.775 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.5 t -128.42 109.43 11.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.421 -2.807 . . . . 25.0 103.421 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -93.95 142.55 27.25 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.882 -2.417 . . . . 25.0 109.288 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.36 124.03 29.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -157.56 168.07 28.35 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.1 t -115.59 153.44 31.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.09 4.81 2.28 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.92 -33.51 75.99 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.63 0.729 . . . . 25.0 110.945 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 33.0 p -135.11 140.74 45.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -111.13 -74.7 0.63 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.902 -1.044 . . . . 25.0 113.577 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.89 -37.7 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.673 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.51 -30.2 69.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.102 -1.408 . . . . 25.0 110.482 -174.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.35 64.08 0.54 Allowed Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 106.889 -2.484 . . . . 25.0 106.889 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 119.96 11.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.43 1.109 . . . . 25.0 108.357 -177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.4 p -122.55 165.35 16.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 112.802 -1.999 . . . . 25.0 110.899 -160.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.73 147.61 45.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.67 127.41 18.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 171.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.03 165.87 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -144.65 147.34 32.96 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -132.86 130.58 39.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -80.29 112.12 17.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.04 179.48 23.15 Favored Glycine 0 N--CA 1.436 -1.329 0 N-CA-C 106.614 -2.594 . . . . 25.0 106.614 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.84 32.04 6.25 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 17.03 0.07 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.31 65.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.77 -8.14 56.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.47 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.71 41.75 3.4 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.115 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.29 119.59 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.5 p -161.23 165.36 29.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.47 67.68 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.03 0.443 . . . . 25.0 110.764 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -72.15 -31.48 66.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.039 -0.413 . . . . 25.0 110.108 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.1 0.409 . . . . 25.0 111.728 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -128.11 122.21 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.754 -0.591 . . . . 25.0 112.269 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.4 tp -92.9 131.05 38.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -140.73 169.1 18.27 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.89 30.43 3.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.495 0.664 . . . . 25.0 110.884 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.236 0.39 0 N-CA-C 114.812 1.043 . . . . 25.0 114.812 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mt -82.1 133.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.32 112.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 122.77 1.271 . . . . 25.0 107.769 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.65 -136.95 3.11 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.414 -1.721 . . . . 25.0 110.54 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -130.93 166.39 21.04 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.35 -0.5 . . . . 25.0 110.301 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.96 3.54 45.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 25.0 109.915 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.25 174.02 11.99 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.46 101.33 1.22 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -81.52 120.71 25.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -108.77 94.88 5.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 102.85 -3.018 . . . . 25.0 102.85 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -140.94 153.43 45.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.9 148.25 49.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.342 0.592 . . . . 25.0 111.401 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.43 -39.43 1.78 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 109.552 -1.419 . . . . 25.0 109.552 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p 48.38 -147.87 0.24 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.115 -1.043 . . . . 25.0 111.364 -176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.94 -6.71 9.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.279 1.955 . . . . 25.0 116.279 -169.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.13 58.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 173.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.67 44.76 3.0 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.369 -1.093 . . . . 25.0 110.369 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -148.65 147.43 28.92 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 2.8 tp10 -140.94 153.99 45.88 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 115.877 1.806 . . . . 75.0 115.877 -174.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.11 137.79 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 125.484 1.514 . . . . 25.0 111.368 -165.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -105.33 148.36 27.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 68.09 0.08 OUTLIER Glycine 0 N--CA 1.466 0.648 0 C-N-CA 119.964 -1.112 . . . . 25.0 114.238 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -29.79 -75.61 0.03 OUTLIER Glycine 0 C--O 1.238 0.383 0 N-CA-C 120.102 2.801 . . . . 25.0 120.102 -168.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.62 -177.77 11.41 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 122.74 1.189 . . . . 25.0 114.41 -173.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.67 164.83 4.45 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.65 81.18 5.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -77.35 150.28 35.18 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -170.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -129.37 104.05 7.27 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -124.86 119.39 28.71 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 -170.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -106.42 135.98 46.97 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.16 -4.3 3.3 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 120.775 -0.726 . . . . 25.0 114.056 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 17.26 -103.76 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.652 3.205 . . . . 25.0 119.652 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.6 171.12 53.5 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 116.17 1.228 . . . . 25.0 116.17 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.79 164.59 33.83 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.377 -0.689 . . . . 25.0 111.377 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.32 131.76 10.77 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 106.959 -2.456 . . . . 25.0 106.959 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -127.33 155.21 43.93 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.556 0.678 . . . . 50.0 110.58 -165.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 28.0 mt -138.45 97.84 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -125.1 134.46 52.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.015 0.436 . . . . 25.0 111.501 -169.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -128.91 123.23 32.07 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.54 -20.5 58.32 Favored Glycine 0 C--O 1.229 -0.208 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.416 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 63.05 -155.47 42.6 Favored Glycine 0 N--CA 1.425 -2.099 0 CA-C-O 125.222 2.568 . . . . 25.0 112.812 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 147.49 35.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 109.595 -3.302 . . . . 25.0 112.502 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.05 -172.61 30.95 Favored Glycine 0 C--N 1.314 -0.667 0 CA-C-N 113.512 -1.677 . . . . 25.0 115.502 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.32 106.59 18.89 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -113.3 153.55 28.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.967 -1.015 . . . . 50.0 113.646 -171.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -119.98 109.41 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -121.17 101.64 7.79 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.28 144.39 27.12 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.234 -0.916 . . . . 25.0 110.959 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.21 8.0 1.88 Allowed Glycine 0 N--CA 1.464 0.533 0 N-CA-C 117.613 1.805 . . . . 25.0 117.613 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 21.4 -123.61 0.01 OUTLIER Glycine 0 C--O 1.241 0.551 0 N-CA-C 121.006 3.162 . . . . 25.0 121.006 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.45 145.27 48.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 111.07 -2.565 . . . . 25.0 110.52 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.56 156.58 28.61 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 114.485 0.554 . . . . 25.0 114.485 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 71.37 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.962 -1.866 . . . . 25.0 105.962 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.6 159.38 33.18 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.415 -1.72 . . . . 50.0 110.328 -174.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -114.98 96.59 5.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -89.0 123.06 32.97 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 103.295 -2.854 . . . . 25.0 103.295 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -115.63 139.23 50.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.862 0.839 . . . . 25.0 112.096 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -122.72 102.12 7.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.937 -1.028 . . . . 25.0 111.498 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.27 3.5 35.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 163.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 90.35 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.147 -1.388 . . . . 25.0 112.123 -173.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -82.36 -71.28 0.49 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -67.35 -22.26 65.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.692 1.234 . . . . 25.0 108.867 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -76.59 -7.45 55.24 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 114.263 -1.335 . . . . 25.0 112.104 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -134.55 36.66 3.14 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.742 -0.663 . . . . 25.0 110.072 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -102.06 166.05 10.83 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.49 153.03 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.3 p -150.92 167.97 25.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.67 -25.52 65.74 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.95 50.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 25.0 111.871 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.08 150.21 5.14 Favored Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.2 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -116.92 138.53 51.47 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -124.71 92.07 3.57 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -124.47 175.56 7.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.659 -0.7 . . . . 25.0 110.344 -170.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -119.49 111.89 18.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.08 104.58 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.0 mt -85.43 121.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.514 . . . . 25.0 106.914 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.59 158.83 15.8 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.57 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 122.993 1.377 . . . . 25.0 114.23 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -149.78 42.29 0.87 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.224 1.565 . . . . 25.0 115.224 -169.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 70.1 41.47 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.192 2.293 . . . . 25.0 117.192 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.6 21.31 1.09 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 N-CA-C 110.241 -0.715 . . . . 25.0 110.241 166.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.57 5.83 0.51 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.749 1.62 . . . . 25.0 115.248 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -139.7 29.49 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.243 0.617 . . . . 25.0 111.342 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.67 155.65 21.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 175.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -111.63 123.13 49.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.384 1.088 . . . . 25.0 111.502 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -106.69 115.3 29.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.176 -1.787 . . . . 25.0 106.176 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.09 113.41 26.63 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.966 -0.459 . . . . 25.0 110.648 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.42 14.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.27 -29.04 68.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.933 -0.48 . . . . 25.0 111.013 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.06 -15.59 62.02 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.4 -17.28 37.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.23 -50.41 4.25 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 108.557 -1.817 . . . . 25.0 108.557 -168.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 t80 66.43 170.73 0.24 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.9 1.28 . . . . 25.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.8 p -118.24 -35.03 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.74 18.9 Favored Glycine 0 CA--C 1.507 -0.441 0 N-CA-C 110.37 -1.092 . . . . 25.0 110.37 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.56 130.34 56.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.07 43.54 0.2 Allowed Glycine 0 C--O 1.221 -0.697 0 C-N-CA 120.83 -0.7 . . . . 25.0 111.789 -175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 58.89 26.04 14.4 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.47 8.18 83.6 Favored Glycine 0 C--N 1.328 0.11 0 N-CA-C 117.373 1.709 . . . . 25.0 117.373 169.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -123.57 169.52 11.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.999 0.9 . . . . 25.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.6 36.67 27.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.902 0.881 . . . . 25.0 109.621 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.15 -14.52 7.95 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.8 p -73.45 172.09 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.661 0.73 . . . . 25.0 110.542 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -104.04 168.53 9.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.532 0.682 . . . . 25.0 109.979 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.11 152.85 38.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.1 140.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -146.56 136.58 23.46 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.82 126.94 72.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 p -120.83 127.41 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.84 -19.81 58.62 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -66.8 -26.97 67.2 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.653 0.739 . . . . 25.0 109.961 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.54 -8.7 34.69 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.184 -1.166 . . . . 25.0 110.184 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 51.54 35.11 13.73 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.115 0.966 . . . . 25.0 110.569 -175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -128.56 147.27 50.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.36 -0.837 . . . . 25.0 112.979 -173.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.2 t -116.7 101.62 8.73 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -88.07 145.92 25.72 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 111.654 -2.521 . . . . 25.0 108.89 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.06 127.94 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -157.99 168.03 28.27 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 t -118.96 151.89 37.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 102.372 -3.195 . . . . 25.0 102.372 175.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.91 6.51 2.0 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.72 -32.92 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.556 0.693 . . . . 25.0 111.057 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.5 p -133.79 139.52 46.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.18 -75.96 0.58 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.952 -1.476 . . . . 25.0 110.617 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.36 -29.13 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 17.4 mp0 -76.56 -24.23 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.203 -1.362 . . . . 25.0 110.545 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.79 77.75 0.11 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.161 -1.575 . . . . 25.0 109.161 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 125.02 23.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.8 p -123.17 165.97 15.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.464 -1.698 . . . . 25.0 111.53 -160.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.14 147.31 40.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -144.69 126.83 15.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.91 164.36 25.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -146.28 145.17 30.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.33 132.33 41.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.86 113.24 18.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.33 179.41 26.09 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 106.5 -2.64 . . . . 25.0 106.5 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -120.98 30.22 6.97 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 16.76 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.69 66.49 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.103 -1.814 . . . . 25.0 106.103 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.08 -7.35 56.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.331 -0.85 . . . . 25.0 109.478 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.25 41.73 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.21 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.17 121.05 23.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.5 p -160.78 165.79 29.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.5 67.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.22 0.533 . . . . 25.0 111.105 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.25 -32.86 64.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.946 -0.471 . . . . 25.0 109.952 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.26 -38.84 50.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.3 mt -129.67 123.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 121.742 -0.599 . . . . 25.0 111.432 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -95.41 128.46 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -140.5 168.48 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.81 31.56 3.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.306 0.574 . . . . 25.0 111.125 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.234 0.279 0 N-CA-C 115.662 1.37 . . . . 25.0 115.662 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.11 131.74 33.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 105.858 -1.905 . . . . 25.0 105.858 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -88.13 115.32 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-O 123.018 1.39 . . . . 25.0 107.358 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.09 -139.09 3.43 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 112.973 -1.921 . . . . 25.0 110.504 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -119.42 162.95 17.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.044 0.45 . . . . 25.0 110.505 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -86.48 3.02 45.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 25.0 109.828 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.83 177.18 9.02 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 170.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.55 111.31 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -88.61 124.34 33.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -111.92 95.19 5.34 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 102.592 -3.114 . . . . 25.0 102.592 165.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.1 mt -140.95 153.83 45.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -129.88 150.21 51.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.951 0.881 . . . . 25.0 111.339 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.432 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.92 -38.92 2.25 Favored Glycine 0 CA--C 1.494 -1.259 0 CA-C-N 113.944 -1.48 . . . . 25.0 111.428 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 p 46.75 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.697 -1.251 . . . . 25.0 111.566 -176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.27 -10.51 11.15 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 137.81 58.07 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 175.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.41 3.17 Favored Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.567 -1.013 . . . . 25.0 110.567 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -148.01 151.37 35.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 3.5 tp10 -141.11 153.98 45.69 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 113.536 0.939 . . . . 75.0 113.536 -174.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.407 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -97.49 137.18 25.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.888 -1.506 . . . . 25.0 110.429 -163.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 t -111.92 147.45 35.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.44 73.8 0.12 Allowed Glycine 0 C--N 1.318 -0.447 0 C-N-CA 119.872 -1.156 . . . . 25.0 112.685 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.37 -76.06 0.03 OUTLIER Glycine 0 C--O 1.236 0.279 0 N-CA-C 119.475 2.55 . . . . 25.0 119.475 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.67 -176.07 11.38 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-O 122.642 1.135 . . . . 25.0 113.867 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.35 165.07 4.22 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 116.984 1.553 . . . . 25.0 116.984 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 81.6 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -78.85 152.89 31.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -130.34 104.11 7.08 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.81 121.26 31.4 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 -170.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.59 136.33 50.93 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.57 -5.41 5.01 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-O 118.907 -0.941 . . . . 25.0 115.059 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 19.62 -98.86 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.22 166.98 54.03 Favored Glycine 0 C--O 1.256 1.479 0 CA-C-O 122.901 1.278 . . . . 25.0 115.427 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.79 167.5 35.08 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 113.801 -1.2 . . . . 25.0 110.737 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.48 136.34 19.96 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 106.797 -2.521 . . . . 25.0 106.797 170.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -127.87 155.74 43.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.194 0.497 . . . . 50.0 110.096 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 2.6 mt -143.97 98.13 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.65 133.11 55.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -168.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' CG ' ' HE ' ' A' ' 64' ' ' ARG . 2.6 m-20 -118.61 118.36 31.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 171.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.23 -23.22 52.39 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.16 -158.29 38.62 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-O 125.586 2.77 . . . . 25.0 114.221 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.59 149.03 36.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 109.283 -3.459 . . . . 25.0 111.8 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.21 -173.75 29.2 Favored Glycine 0 C--N 1.312 -0.797 0 CA-C-N 113.575 -1.648 . . . . 25.0 115.043 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -98.28 104.05 16.05 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.015 -2.217 . . . . 25.0 105.015 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -112.16 147.45 36.12 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -113.69 109.52 18.72 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.1 mt -120.68 103.03 8.8 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 119.825 -0.131 . . . . 25.0 111.087 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.79 139.38 36.56 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.381 -0.824 . . . . 25.0 109.953 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.52 -16.88 2.46 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.951 1.54 . . . . 25.0 116.951 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.84 -133.49 36.11 Favored Glycine 0 N--CA 1.433 -1.522 0 CA-C-O 126.199 3.11 . . . . 25.0 117.168 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.96 145.62 52.4 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 108.322 -3.939 . . . . 25.0 110.753 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.44 162.05 36.08 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.456 0.942 . . . . 25.0 115.456 174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.98 67.1 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -68.16 153.02 44.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.856 -1.52 . . . . 50.0 109.603 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -112.57 105.54 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -99.59 121.0 40.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 102.951 -2.981 . . . . 25.0 102.951 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HE ' ' CG ' ' A' ' 46' ' ' ASP . 39.2 ptt180 -118.62 145.41 45.45 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.834 0.826 . . . . 25.0 112.084 -166.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -122.47 100.54 6.99 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.43 -1.259 . . . . 25.0 111.214 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.32 1.5 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.078 -2.564 . . . . 25.0 104.078 161.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.66 90.32 8.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.179 -1.373 . . . . 25.0 110.869 -175.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -86.83 -72.0 0.53 Allowed 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.13 -17.81 63.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.522 1.154 . . . . 25.0 108.234 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -74.42 -7.06 51.68 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-N 114.457 -1.247 . . . . 25.0 111.881 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -131.6 35.43 3.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.337 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.0 164.5 11.68 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.07 151.46 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.85 171.22 17.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.74 66.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.98 -6.79 54.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.706 0.765 . . . . 25.0 112.023 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.42 151.36 5.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.841 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 p -118.83 140.21 50.33 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 122.285 -0.538 . . . . 25.0 109.967 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -123.29 92.11 3.62 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 102.851 -3.018 . . . . 25.0 102.851 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -123.73 177.81 5.53 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.164 -169.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.1 124.99 45.21 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -107.37 104.44 14.03 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -87.23 119.78 35.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -101.7 159.65 15.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.83 80.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.98 43.86 0.98 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -142.93 72.91 18.79 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 118.411 2.745 . . . . 25.0 118.411 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -88.12 22.17 0.92 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 N-CA-C 110.438 -0.639 . . . . 25.0 110.438 164.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.71 6.12 0.81 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.77 1.628 . . . . 25.0 114.525 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -145.32 54.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 154.77 21.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 174.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -111.21 128.95 56.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.39 1.091 . . . . 25.0 113.421 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.09 131.09 54.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.51 115.24 23.05 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.176 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.4 14.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.6 p -66.83 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.014 -0.429 . . . . 25.0 111.578 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.75 -14.26 61.95 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.77 0.285 . . . . 25.0 111.77 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.1 -14.19 39.46 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.11 -51.39 4.4 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 108.818 -1.713 . . . . 25.0 108.818 -169.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 66.24 170.15 0.23 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.928 1.291 . . . . 25.0 109.192 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.5 p -121.2 -32.78 3.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.6 178.05 15.66 Favored Glycine 0 CA--C 1.508 -0.365 0 N-CA-C 108.423 -1.871 . . . . 25.0 108.423 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -122.44 36.33 4.66 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.956 0.884 . . . . 25.0 111.584 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.99 56.46 3.93 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.644 1.018 . . . . 25.0 115.644 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 59.32 26.69 15.58 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.85 7.01 84.63 Favored Glycine 0 CA--C 1.512 -0.102 0 N-CA-C 117.855 1.902 . . . . 25.0 117.855 167.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -123.79 168.68 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.719 0.759 . . . . 25.0 109.557 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.64 37.78 27.51 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.82 0.848 . . . . 25.0 109.661 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.96 -10.45 26.27 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -76.86 172.33 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.778 0.789 . . . . 25.0 110.263 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.44 168.21 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.55 152.87 37.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.8 p -115.88 140.67 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -144.36 134.44 24.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 126.28 71.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 p -120.68 129.89 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 -25.5 59.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -68.83 -25.78 64.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.622 0.725 . . . . 25.0 110.029 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.48 -14.4 38.2 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.83 33.56 14.54 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.243 1.021 . . . . 25.0 110.184 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -131.83 151.33 51.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.543 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -120.86 102.81 8.61 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -88.3 142.14 27.98 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 111.888 -2.415 . . . . 25.0 109.058 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.48 122.7 26.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -157.79 167.26 30.55 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 t -117.53 149.98 39.71 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.974 -2.973 . . . . 25.0 102.974 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.87 4.7 2.56 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.73 -34.1 77.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 111.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.0 p -135.41 138.63 43.46 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -126.29 -63.93 1.07 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.305 -1.316 . . . . 25.0 111.361 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.84 -28.76 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 17.6 mp0 -77.0 -24.13 52.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.11 -1.405 . . . . 25.0 110.458 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.8 80.44 0.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 106.231 -2.748 . . . . 25.0 106.231 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 118.94 9.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 122.955 1.36 . . . . 25.0 109.144 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -179.37 5.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 112.211 -2.268 . . . . 25.0 110.148 -164.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -104.92 154.91 19.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.573 0.225 . . . . 25.0 110.977 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.82 129.33 16.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.695 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.86 164.02 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 93.0 p -146.67 152.7 39.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.54 133.62 38.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.87 111.93 18.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.0 177.8 24.34 Favored Glycine 0 N--CA 1.438 -1.207 0 N-CA-C 106.764 -2.534 . . . . 25.0 106.764 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.29 28.72 8.05 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 15.85 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.9 -29.35 63.08 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.13 -8.86 57.75 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.177 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.83 39.12 3.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.923 -0.581 . . . . 25.0 109.967 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.03 117.82 16.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.1 p -160.12 164.77 32.72 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.198 0.523 . . . . 25.0 110.852 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.35 -33.36 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.131 -0.356 . . . . 25.0 110.235 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.79 -41.46 37.24 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.267 0.469 . . . . 25.0 112.267 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.44 123.73 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.858 -0.526 . . . . 25.0 112.304 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.76 132.08 42.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -140.95 168.58 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.3 31.55 3.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 111.41 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 C--O 1.233 0.233 0 N-CA-C 115.118 1.161 . . . . 25.0 115.118 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.34 129.61 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.87 -1.9 . . . . 25.0 105.87 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.93 110.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 122.787 1.279 . . . . 25.0 108.078 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.77 -139.37 3.36 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 113.322 -1.763 . . . . 25.0 110.091 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -122.63 166.0 15.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.92 0.391 . . . . 25.0 110.258 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -85.98 2.4 46.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 25.0 109.636 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.72 175.95 10.23 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.21 112.48 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.742 -1.577 . . . . 25.0 106.742 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -89.7 136.27 33.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.2 95.08 4.55 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 102.533 -3.136 . . . . 25.0 102.533 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 mt -140.76 153.95 46.08 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -174.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -131.81 149.83 52.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.825 0.822 . . . . 25.0 111.786 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.414 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.15 -41.02 1.86 Allowed Glycine 0 CA--C 1.497 -1.053 0 CA-C-N 113.929 -1.487 . . . . 25.0 110.723 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.7 p 44.99 -145.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.849 -1.175 . . . . 25.0 111.399 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.57 -11.44 11.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -170.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.31 140.47 57.98 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.53 48.01 3.95 Favored Glycine 0 C--O 1.222 -0.611 0 N-CA-C 110.294 -1.122 . . . . 25.0 110.294 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 157.88 43.75 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.2 tp10 -140.9 -179.59 6.15 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.027 0.751 . . . . 75.0 113.027 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.542 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 23.7 mm -109.12 136.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.286 0.634 . . . . 25.0 111.393 -167.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -117.28 153.63 32.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 171.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.9 71.41 0.05 OUTLIER Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.108 -1.044 . . . . 25.0 112.285 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -74.83 0.04 OUTLIER Glycine 0 C--O 1.237 0.289 0 N-CA-C 119.426 2.53 . . . . 25.0 119.426 -168.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.02 11.05 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-O 122.647 1.137 . . . . 25.0 113.884 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.7 164.05 4.14 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.98 1.552 . . . . 25.0 116.98 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.85 81.3 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -79.8 151.04 30.52 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.675 0.991 . . . . 50.0 113.675 -170.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -127.38 106.28 9.1 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 105.094 -2.187 . . . . 25.0 105.094 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.63 123.9 36.71 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -111.8 136.13 51.49 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.34 -11.05 1.38 Allowed Glycine 0 C--O 1.211 -1.295 0 N-CA-C 115.48 0.952 . . . . 25.0 115.48 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 19.09 -96.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.275 2.695 . . . . 25.0 118.275 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.93 167.77 54.53 Favored Glycine 0 C--O 1.257 1.587 0 CA-C-O 122.533 1.074 . . . . 25.0 115.625 -174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.53 166.05 34.03 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.196 -1.002 . . . . 25.0 110.675 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.27 132.19 11.88 Favored Glycine 0 C--N 1.317 -0.485 0 N-CA-C 106.887 -2.485 . . . . 25.0 106.887 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -127.1 156.17 42.15 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.919 0.36 . . . . 50.0 111.696 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -139.67 103.18 4.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.1 133.02 53.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -171.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.4 113.22 15.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.433 -1.691 . . . . 25.0 106.433 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.05 67.47 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.679 1.431 . . . . 25.0 116.679 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.25 -157.76 39.74 Favored Glycine 0 N--CA 1.425 -2.046 0 CA-C-O 125.41 2.672 . . . . 25.0 113.597 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 149.05 37.1 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 109.405 -3.397 . . . . 25.0 111.917 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.48 -174.73 28.59 Favored Glycine 0 C--N 1.313 -0.703 0 CA-C-N 113.521 -1.672 . . . . 25.0 114.988 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -97.57 104.37 16.39 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.599 -2.371 . . . . 25.0 104.599 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -111.57 149.38 31.52 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.765 1.024 . . . . 50.0 113.765 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -117.48 109.34 16.62 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.1 mt -121.69 99.47 6.48 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.548 0.574 . . . . 25.0 112.548 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.13 145.02 24.84 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.082 -1.011 . . . . 25.0 111.158 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.53 -2.14 1.55 Allowed Glycine 0 N--CA 1.464 0.56 0 N-CA-C 117.436 1.735 . . . . 25.0 117.436 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 29.81 -127.49 0.12 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 120.315 2.886 . . . . 25.0 120.315 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.47 143.57 39.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 109.859 -3.171 . . . . 25.0 111.442 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.46 161.42 33.7 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.09 68.32 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -72.29 156.02 39.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.953 -1.476 . . . . 50.0 109.911 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -112.07 108.66 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.642 0.734 . . . . 25.0 109.091 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -101.45 124.04 46.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 102.407 -3.183 . . . . 25.0 102.407 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -123.69 142.47 51.04 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.849 0.833 . . . . 25.0 111.834 -165.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.09 102.74 8.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.493 -1.23 . . . . 25.0 112.262 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.64 2.27 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.096 -2.557 . . . . 25.0 104.096 160.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 90.72 8.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.237 -1.347 . . . . 25.0 111.033 -175.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -86.67 -72.8 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.276 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.1 -17.98 63.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.631 1.205 . . . . 25.0 108.247 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.42 -9.83 59.1 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 114.253 -1.34 . . . . 25.0 111.733 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -131.82 40.74 3.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.384 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -102.46 164.41 11.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.67 151.58 46.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.8 p -150.84 169.45 21.65 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.406 -1.702 . . . . 25.0 106.406 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -25.11 66.97 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.3 -4.83 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.694 . . . . 25.0 112.176 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.59 154.25 6.09 Favored Glycine 0 C--N 1.317 -0.476 0 CA-C-N 115.209 -0.905 . . . . 25.0 113.588 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.65 140.15 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.75 92.28 3.57 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.338 -2.467 . . . . 25.0 104.338 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 p -120.57 178.87 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.997 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -120.35 110.31 16.39 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.51 104.73 16.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.9 mt -84.43 123.51 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.423 -1.325 . . . . 25.0 107.423 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.79 158.75 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.01 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.08 1.352 . . . . 25.0 114.53 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -150.53 44.47 0.86 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 115.729 1.751 . . . . 25.0 115.729 -169.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 41.3 t0 -141.72 72.53 24.45 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -87.13 21.79 1.01 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.466 -0.628 . . . . 25.0 110.466 164.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.41 4.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 125.832 1.653 . . . . 25.0 114.983 -171.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -139.43 31.45 2.11 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.298 0.639 . . . . 25.0 110.802 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.85 155.91 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -111.16 130.62 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.224 1.012 . . . . 25.0 112.913 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -120.79 134.34 55.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 105.364 -2.087 . . . . 25.0 105.364 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -122.03 116.49 24.38 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.34 13.86 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -67.4 -27.63 67.24 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.935 -0.478 . . . . 25.0 111.356 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.07 -14.69 61.92 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.628 0.251 . . . . 25.0 111.648 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.64 -13.6 36.73 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 -51.43 4.5 Favored Glycine 0 C--O 1.237 0.318 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 -169.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.0 t80 67.08 169.04 0.25 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.192 1.397 . . . . 25.0 109.592 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.6 p -118.07 -32.66 4.67 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.13 177.88 15.33 Favored Glycine 0 CA--C 1.509 -0.344 0 N-CA-C 108.528 -1.829 . . . . 25.0 108.528 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 tp -122.33 40.12 3.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.048 0.928 . . . . 25.0 111.081 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.22 56.67 4.39 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 115.258 -0.883 . . . . 25.0 114.87 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 58.61 26.13 14.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.56 1.689 . . . . 25.0 115.56 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.76 7.51 84.07 Favored Glycine 0 CA--C 1.511 -0.16 0 N-CA-C 117.728 1.851 . . . . 25.0 117.728 168.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -121.48 167.86 12.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.06 0.93 . . . . 25.0 109.844 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.37 38.17 28.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.799 0.839 . . . . 25.0 109.921 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.23 -9.94 30.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 115.269 0.867 . . . . 25.0 115.269 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.3 p -76.72 171.89 13.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.727 0.763 . . . . 25.0 110.073 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.3 168.92 8.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.8 152.77 41.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.37 141.2 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.4 t -146.22 149.26 33.58 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.591 -2.003 . . . . 25.0 105.591 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.67 131.51 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -121.0 122.28 39.8 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.87 -19.55 51.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.562 0.949 . . . . 25.0 113.562 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.59 -26.35 66.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.402 0.62 . . . . 25.0 109.988 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.91 -4.72 39.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.225 -1.15 . . . . 25.0 110.225 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.74 33.82 9.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.279 1.031 . . . . 25.0 111.635 -176.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -125.64 145.3 50.22 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -116.18 103.13 10.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 104.044 -2.576 . . . . 25.0 104.044 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -88.05 142.52 27.71 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 110.942 -2.844 . . . . 25.0 108.769 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.91 125.34 41.39 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -157.88 166.73 31.9 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -116.86 153.29 32.78 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 102.469 -3.16 . . . . 25.0 102.469 174.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.04 3.87 2.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.49 -33.42 75.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.491 0.663 . . . . 25.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.2 p -135.82 138.47 42.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.33 -72.44 0.52 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.033 -1.44 . . . . 25.0 110.01 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.08 59.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.3 mp0 -80.18 -22.21 42.18 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.163 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.11 81.5 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 108.458 -1.857 . . . . 25.0 108.458 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 119.82 10.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.697 1.237 . . . . 25.0 109.616 -174.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -179.85 5.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.299 -2.228 . . . . 25.0 111.406 -164.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -99.42 157.17 16.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.507 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -145.4 130.48 18.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.929 0.491 . . . . 25.0 109.893 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.22 165.94 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.3 t -146.74 148.24 31.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.46 131.14 39.55 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -81.26 110.08 16.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 153.17 -178.47 30.21 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 106.584 -2.606 . . . . 25.0 106.584 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -122.75 32.31 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 16.83 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.59 64.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.4 -6.71 57.42 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.317 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.87 3.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.32 124.72 29.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.2 p -162.24 165.75 26.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.25 68.68 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.121 0.486 . . . . 25.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.51 -31.83 67.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.04 -0.413 . . . . 25.0 110.045 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.52 -42.43 43.23 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.076 -0.39 . . . . 25.0 111.801 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.8 mt -129.03 123.28 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.9 tp -93.59 131.62 38.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -140.06 168.71 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.75 31.46 3.34 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.315 0.579 . . . . 25.0 111.155 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.233 0.242 0 N-CA-C 114.323 0.855 . . . . 25.0 114.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -82.03 129.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -84.3 112.3 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 123.191 1.472 . . . . 25.0 109.318 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.39 -137.18 2.16 Favored Glycine 0 C--N 1.312 -0.773 0 CA-C-N 112.735 -2.029 . . . . 25.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -125.48 164.03 21.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.235 -0.568 . . . . 25.0 110.255 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -86.7 3.51 44.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.464 0.65 . . . . 25.0 109.933 173.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -82.49 177.6 8.65 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -67.62 111.31 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -88.68 131.78 34.86 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -119.58 95.19 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 102.537 -3.134 . . . . 25.0 102.537 166.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.92 153.64 45.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -131.74 149.94 52.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.859 0.838 . . . . 25.0 111.847 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.8 -41.57 1.69 Allowed Glycine 0 CA--C 1.496 -1.102 0 CA-C-N 113.973 -1.467 . . . . 25.0 111.136 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 p 44.92 -141.16 0.28 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 113.858 -1.171 . . . . 25.0 110.864 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.16 -13.23 11.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.837 2.162 . . . . 25.0 116.837 -171.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 136.6 58.12 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.67 42.49 3.13 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.94 148.0 30.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 105.682 -1.969 . . . . 25.0 105.682 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -139.79 154.19 47.32 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 115.852 1.797 . . . . 75.0 115.852 -173.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.51 139.36 17.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 113.848 -1.524 . . . . 25.0 113.071 -165.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.3 t -111.66 150.5 30.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.24 69.15 0.09 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 119.548 -1.311 . . . . 25.0 114.491 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.71 0.03 OUTLIER Glycine 0 C--O 1.236 0.23 0 N-CA-C 119.797 2.679 . . . . 25.0 119.797 -168.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.78 -176.21 11.86 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 122.643 1.135 . . . . 25.0 114.196 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.0 169.25 4.81 Favored Glycine 0 C--N 1.311 -0.816 0 N-CA-C 117.177 1.631 . . . . 25.0 117.177 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.93 82.48 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.4 152.38 28.89 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -130.48 105.3 7.77 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.61 122.06 33.97 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 105.197 -2.149 . . . . 25.0 105.197 -170.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -112.77 135.98 52.9 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.5 -10.85 2.56 Favored Glycine 0 C--O 1.205 -1.69 0 N-CA-C 115.554 0.982 . . . . 25.0 115.554 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 20.41 -98.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 118.734 2.864 . . . . 25.0 118.734 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.65 164.69 54.7 Favored Glycine 0 C--O 1.247 0.944 0 O-C-N 120.782 -1.199 . . . . 25.0 115.965 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.28 168.59 33.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-O 121.782 0.657 . . . . 25.0 111.465 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.7 133.68 16.08 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 107.504 -2.238 . . . . 25.0 107.504 171.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -127.86 155.71 43.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.417 0.609 . . . . 50.0 110.165 -170.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.4 tt -143.65 98.41 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -124.07 145.01 49.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.501 -166.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.86 147.91 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 171.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.05 -27.22 7.48 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 115.693 1.037 . . . . 25.0 115.693 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.95 -157.99 45.42 Favored Glycine 0 N--CA 1.423 -2.172 0 CA-C-O 125.073 2.485 . . . . 25.0 111.606 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.85 148.03 31.53 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.752 -3.224 . . . . 25.0 111.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.11 -171.06 28.02 Favored Glycine 0 C--N 1.312 -0.787 0 CA-C-N 113.754 -1.566 . . . . 25.0 113.906 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -104.2 107.6 18.59 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -114.14 158.09 21.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -122.84 110.32 15.29 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -121.78 103.12 8.64 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 111.658 0.244 . . . . 25.0 111.658 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.05 144.3 27.7 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.137 -0.977 . . . . 25.0 110.901 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.0 -14.15 1.13 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 116.393 1.317 . . . . 25.0 116.393 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.48 -127.94 5.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 125.514 2.73 . . . . 25.0 118.266 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.12 144.01 41.83 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 109.166 -3.517 . . . . 25.0 111.61 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.62 162.4 38.2 Favored Glycine 0 C--O 1.245 0.796 0 N-CA-C 115.699 1.04 . . . . 25.0 115.699 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.46 67.88 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.63 154.09 41.43 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.983 -1.462 . . . . 50.0 109.422 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 m -114.42 96.6 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.718 0.77 . . . . 25.0 109.301 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.207 -2.146 . . . . 25.0 105.207 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -111.87 138.33 48.62 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.4 0.619 . . . . 25.0 111.008 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.07 95.54 4.65 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.246 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.5 4.16 40.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 166.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.38 94.81 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.081 -1.418 . . . . 25.0 110.46 -175.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -86.85 -73.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.255 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -69.31 -20.19 63.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.65 1.214 . . . . 25.0 108.205 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -74.99 -9.03 58.15 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 t -131.85 38.0 3.58 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.064 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.04 164.32 11.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -143.13 153.24 42.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.309 1.226 . . . . 25.0 114.309 -177.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.1 p -150.43 168.65 23.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.95 65.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.53 -5.45 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 25.0 112.03 178.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.93 148.43 4.74 Favored Glycine 0 C--N 1.315 -0.606 0 CA-C-N 115.115 -0.948 . . . . 25.0 113.893 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.89 141.11 48.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -125.43 91.96 3.52 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 103.7 -2.704 . . . . 25.0 103.7 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.5 p -123.74 -162.07 1.03 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.746 -0.661 . . . . 25.0 110.475 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.18 116.36 9.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.57 104.61 16.66 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -82.76 124.9 39.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -101.42 165.73 11.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 22.18 79.25 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.869 2.174 . . . . 25.0 116.869 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.94 40.28 1.51 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 113.644 -1.616 . . . . 25.0 114.524 -171.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -137.89 69.9 50.43 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 117.414 2.375 . . . . 25.0 117.414 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -87.79 21.03 1.08 Allowed 'Trans proline' 0 CA--C 1.541 0.839 0 N-CA-C 109.994 -0.81 . . . . 25.0 109.994 163.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 58.96 5.72 0.55 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.868 1.667 . . . . 25.0 114.582 -170.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -144.27 52.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.74 154.4 21.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -111.31 129.73 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.105 0.955 . . . . 25.0 112.779 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.02 125.76 44.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -108.03 117.08 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.066 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.44 12.86 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -70.19 -22.51 62.94 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.907 -0.495 . . . . 25.0 110.863 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.79 63.37 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.639 0.257 . . . . 25.0 111.096 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.9 mt -93.02 -10.37 36.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.1 -49.4 4.23 Favored Glycine 0 C--O 1.237 0.282 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.9 t80 68.61 168.65 0.28 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.262 1.425 . . . . 25.0 109.119 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -119.72 -31.54 4.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -174.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.75 -179.82 17.09 Favored Glycine 0 CA--C 1.51 -0.276 0 N-CA-C 108.867 -1.693 . . . . 25.0 108.867 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tp -122.87 44.62 2.6 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.066 0.933 . . . . 25.0 111.901 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.33 4.72 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 115.508 -0.769 . . . . 25.0 114.213 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.04 28.38 16.21 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.518 1.673 . . . . 25.0 115.518 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.82 6.5 85.22 Favored Glycine 0 C--N 1.326 -0.023 0 N-CA-C 117.731 1.852 . . . . 25.0 117.731 168.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -123.21 168.92 11.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 117.799 0.8 . . . . 25.0 109.684 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.81 37.8 27.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.813 0.845 . . . . 25.0 109.648 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.95 -10.2 27.48 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.251 0.861 . . . . 25.0 115.251 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.1 p -76.93 171.51 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.695 0.748 . . . . 25.0 110.535 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -104.38 170.75 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.09 152.53 48.58 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.37 146.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -144.77 149.99 36.45 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.82 132.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.73 122.3 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.49 -29.48 52.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.114 0.483 . . . . 25.0 111.172 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.03 -26.59 65.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 25.0 109.923 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.53 52.64 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.93 34.14 13.05 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.206 1.003 . . . . 25.0 111.287 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.508 -174.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -128.17 108.7 10.84 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 103.815 -2.661 . . . . 25.0 103.815 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -93.39 145.04 24.77 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.62 -2.536 . . . . 25.0 108.993 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.73 128.18 40.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -157.94 167.68 29.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.44 150.35 37.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.31 5.96 2.53 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.85 -33.75 76.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.584 0.707 . . . . 25.0 111.062 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -135.0 137.08 42.66 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 105.742 -1.947 . . . . 25.0 105.742 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.93 -65.57 1.05 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.491 -1.231 . . . . 25.0 111.639 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.69 -29.41 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.514 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 16.5 mp0 -76.04 -24.57 55.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.185 -1.37 . . . . 25.0 110.563 -175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.63 79.43 0.12 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 105.895 -2.882 . . . . 25.0 105.895 -176.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.7 6.16 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.97 1.367 . . . . 25.0 109.584 -174.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.68 -179.87 5.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 111.649 -2.523 . . . . 25.0 109.726 -164.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.88 156.21 17.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -144.72 133.08 21.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.046 0.538 . . . . 25.0 109.791 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.73 164.13 26.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 106.598 -1.631 . . . . 25.0 106.598 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.38 146.48 32.55 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.98 131.63 39.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -79.62 114.08 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.54 179.36 21.75 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 106.783 -2.527 . . . . 25.0 106.783 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.35 32.18 6.13 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 18.12 0.07 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 122.112 0.958 . . . . 25.0 113.504 -174.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.11 69.51 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 170.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.31 55.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.203 -0.908 . . . . 25.0 109.645 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.69 42.07 3.38 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.035 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.0 124.91 32.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.438 -1.69 . . . . 25.0 106.438 175.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.0 p -161.79 167.58 24.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.13 -29.34 67.37 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.062 0.458 . . . . 25.0 110.934 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -72.41 -29.89 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.917 -0.489 . . . . 25.0 110.251 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -80.2 -44.45 19.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.87 -0.519 . . . . 25.0 111.903 173.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.78 127.02 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.6 tp -100.45 128.03 46.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.04 167.79 21.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.124 -1.436 . . . . 25.0 107.124 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.4 31.29 3.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.334 0.588 . . . . 25.0 111.357 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 51.1 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 N-CA-C 115.48 1.3 . . . . 25.0 115.48 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 131.36 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.04 113.62 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 123.125 1.441 . . . . 25.0 108.395 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.04 -135.85 1.77 Allowed Glycine 0 C--N 1.315 -0.625 0 CA-C-N 112.776 -2.011 . . . . 25.0 110.174 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -128.85 170.26 13.6 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.094 -0.651 . . . . 25.0 110.374 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -87.52 3.06 48.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.575 0.702 . . . . 25.0 109.119 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 tp -79.58 174.41 11.61 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -70.09 100.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -87.38 118.88 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.23 94.96 5.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 165.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.93 153.94 51.88 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -129.97 150.67 51.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.703 0.764 . . . . 25.0 111.814 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.94 -37.41 2.54 Favored Glycine 0 C--N 1.321 -0.277 0 CA-C-N 113.851 -1.522 . . . . 25.0 112.109 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.1 p 46.38 -145.57 0.21 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 113.442 -1.379 . . . . 25.0 110.881 -174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.64 -6.94 3.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.21 2.3 . . . . 25.0 117.21 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 138.42 58.31 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.61 43.73 3.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -147.84 147.4 29.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.769 -1.567 . . . . 25.0 106.769 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HB2' ' H ' ' A' ' 44' ' ' LEU . 2.6 tp10 -140.98 154.35 46.0 Favored 'General case' 0 C--O 1.176 -2.806 0 N-CA-C 117.623 2.453 . . . . 75.0 117.623 -172.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.48 141.35 14.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 113.65 -1.614 . . . . 25.0 111.569 -165.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -113.98 150.01 34.48 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.124 2.17 . . . . 25.0 105.478 171.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 73.11 0.07 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 119.866 -1.159 . . . . 25.0 115.826 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.99 -77.55 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 N-CA-C 120.013 2.765 . . . . 25.0 120.013 -168.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.76 -175.67 10.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 122.554 1.086 . . . . 25.0 114.332 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.18 168.2 5.59 Favored Glycine 0 C--N 1.312 -0.75 0 N-CA-C 116.485 1.354 . . . . 25.0 116.485 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 82.35 3.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -79.08 153.37 30.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -130.69 104.63 7.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 104.822 -2.288 . . . . 25.0 104.822 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.12 116.14 21.59 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -171.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.08 136.11 49.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.22 -0.71 5.85 Favored Glycine 0 C--O 1.215 -1.05 0 CA-C-O 118.401 -1.222 . . . . 25.0 115.465 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 18.7 -101.32 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.49 168.09 54.69 Favored Glycine 0 C--O 1.274 2.596 0 N-CA-C 115.236 0.854 . . . . 25.0 115.236 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.2 164.78 34.93 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 120.111 -1.042 . . . . 25.0 111.085 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.2 134.8 14.81 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 105.67 -2.972 . . . . 25.0 105.67 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -125.58 157.34 37.38 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 -168.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 1.8 tt -144.63 97.89 3.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.49 145.23 50.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.057 -164.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -138.99 147.74 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.95 9.26 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 116.388 1.315 . . . . 25.0 116.388 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.82 -156.31 43.85 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.115 2.508 . . . . 25.0 112.121 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.12 148.37 40.81 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 109.802 -3.199 . . . . 25.0 111.713 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.56 -172.33 27.34 Favored Glycine 0 C--N 1.312 -0.789 0 CA-C-N 113.728 -1.578 . . . . 25.0 115.185 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -100.19 105.92 17.56 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -114.52 155.26 26.77 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -169.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -121.48 109.72 15.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.195 -1.409 . . . . 25.0 107.195 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.5 mt -120.99 112.68 19.04 Favored 'General case' 0 C--O 1.209 -1.053 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.77 141.02 47.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.063 0.847 . . . . 25.0 110.72 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.47 -10.86 2.29 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 116.932 1.533 . . . . 25.0 116.932 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.76 -125.97 7.98 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-O 125.4 2.667 . . . . 25.0 117.301 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.25 146.18 51.61 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 109.582 -3.309 . . . . 25.0 110.769 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.48 161.09 36.86 Favored Glycine 0 C--O 1.244 0.766 0 N-CA-C 115.14 0.816 . . . . 25.0 115.14 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.9 68.63 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.89 -1.522 . . . . 25.0 106.89 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -66.13 153.09 43.29 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.165 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 m -113.37 96.0 5.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.663 0.744 . . . . 25.0 109.06 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -86.99 126.34 34.67 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -109.2 138.57 45.34 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.551 0.691 . . . . 25.0 110.207 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -121.22 98.0 5.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.75 2.21 32.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.418 -2.438 . . . . 25.0 104.418 165.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.19 89.78 7.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.403 -176.493 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -86.8 -72.39 0.51 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.866 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -70.93 -18.1 62.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.54 1.162 . . . . 25.0 107.964 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.29 -7.98 55.4 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-N 114.568 -1.196 . . . . 25.0 112.049 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -130.81 35.92 3.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.17 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.86 165.96 10.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -137.14 155.68 49.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -178.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.3 p -150.86 168.17 25.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.32 66.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -6.08 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.707 0.765 . . . . 25.0 112.285 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.18 151.91 5.53 Favored Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.438 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.1 p -118.88 143.26 47.08 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.852 0.358 . . . . 25.0 110.346 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.5 92.19 3.56 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -120.81 175.79 5.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.708 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.31 113.5 19.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.03 105.57 17.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.77 121.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.4 mt -101.89 160.65 14.3 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.322 -0.236 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 32.81 78.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.116 1.436 . . . . 25.0 114.461 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.36 39.33 0.9 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.65 -1.614 . . . . 25.0 115.171 -170.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -138.94 70.43 42.48 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 117.437 2.384 . . . . 25.0 117.437 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.21 20.89 1.08 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.169 -0.743 . . . . 25.0 110.169 164.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.68 7.03 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.663 1.585 . . . . 25.0 114.509 -170.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -145.15 54.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.8 154.27 24.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.453 -2.055 . . . . 50.0 105.453 174.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 131.6 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 122.226 1.012 . . . . 25.0 113.116 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.0 tp -123.62 133.0 54.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 106.015 -1.846 . . . . 25.0 106.015 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -119.15 111.84 18.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.756 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.38 13.57 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -28.33 68.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.029 -0.42 . . . . 25.0 110.941 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.6 62.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.5 mt -87.62 -16.11 35.39 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.07 -52.01 4.48 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 108.306 -1.918 . . . . 25.0 108.306 -168.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.4 t80 65.87 170.7 0.22 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.037 1.335 . . . . 25.0 109.549 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -120.77 -32.91 3.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 113.635 0.976 . . . . 25.0 113.635 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.28 179.02 16.12 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.16 39.55 3.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.02 0.914 . . . . 25.0 111.589 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.53 56.16 4.45 Favored Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.296 -0.865 . . . . 25.0 115.151 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 58.93 27.5 16.33 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.893 1.812 . . . . 25.0 115.893 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.94 7.4 83.91 Favored Glycine 0 N--CA 1.458 0.114 0 N-CA-C 117.841 1.896 . . . . 25.0 117.841 167.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -124.2 168.38 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.805 0.803 . . . . 25.0 109.701 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.77 38.01 27.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.803 0.841 . . . . 25.0 109.649 -174.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.91 -11.4 21.45 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 115.259 0.864 . . . . 25.0 115.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 p -76.59 171.57 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.793 0.796 . . . . 25.0 110.359 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -104.29 169.35 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 152.89 41.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.14 144.01 24.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 t -146.87 153.29 39.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.12 133.84 60.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.96 122.45 40.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -79.01 -26.52 43.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.049 0.452 . . . . 25.0 111.162 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.75 -26.55 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.444 0.64 . . . . 25.0 109.548 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -8.68 54.3 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.58 30.57 8.74 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 25.0 111.846 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -131.32 152.06 50.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -120.89 105.16 10.43 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.37 143.4 26.86 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 111.329 -2.669 . . . . 25.0 109.376 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -130.64 126.79 37.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.55 168.34 27.57 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.3 t -118.64 152.33 36.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 102.646 -3.094 . . . . 25.0 102.646 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.1 3.19 2.62 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.61 -34.03 76.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.536 0.684 . . . . 25.0 111.209 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.1 p -135.59 138.12 42.64 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -123.03 -66.21 1.04 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.182 -1.372 . . . . 25.0 111.556 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.75 -29.31 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 16.2 mp0 -75.35 -24.6 57.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.276 -175.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.86 78.86 0.13 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 106.46 -2.656 . . . . 25.0 106.46 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.03 5.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 123.138 1.447 . . . . 25.0 109.496 -175.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 166.0 12.23 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 111.617 -2.538 . . . . 25.0 110.38 -163.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -85.64 154.31 21.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.45 129.68 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.24 166.56 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 149.01 32.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.25 132.44 39.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.06 115.02 19.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.49 179.62 19.49 Favored Glycine 0 N--CA 1.437 -1.241 0 N-CA-C 106.785 -2.526 . . . . 25.0 106.785 -175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.02 31.39 6.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 16.56 0.07 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -29.87 64.82 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.0 -7.13 56.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.417 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.56 3.49 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.68 122.95 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -160.57 164.82 31.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.35 69.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.076 0.465 . . . . 25.0 110.851 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.97 -32.03 66.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.073 -0.392 . . . . 25.0 110.067 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.51 -42.53 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.099 0.409 . . . . 25.0 111.847 174.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.27 124.79 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.8 tp -95.27 132.44 40.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -140.36 168.69 19.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.29 31.28 3.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.344 0.592 . . . . 25.0 111.281 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--O 1.234 0.309 0 N-CA-C 114.537 0.937 . . . . 25.0 114.537 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.82 133.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.49 116.32 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.71 -139.38 3.33 Favored Glycine 0 C--N 1.313 -0.723 0 CA-C-N 112.88 -1.964 . . . . 25.0 110.869 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -118.34 166.22 12.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.141 0.496 . . . . 25.0 110.836 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -87.24 3.35 46.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.488 0.661 . . . . 25.0 109.573 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -82.67 176.89 9.0 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.537 -1.282 . . . . 25.0 107.537 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.01 111.66 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -93.7 125.02 38.09 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.34 95.1 4.91 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 104.574 -2.38 . . . . 25.0 104.574 165.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -137.82 153.44 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -128.28 149.34 50.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.916 0.865 . . . . 25.0 112.209 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.23 -39.74 2.21 Favored Glycine 0 CA--C 1.496 -1.155 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.573 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p 45.64 -144.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.822 -1.189 . . . . 25.0 111.088 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.56 -10.32 7.8 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.788 2.144 . . . . 25.0 116.788 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 138.13 58.02 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 44.52 3.35 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -150.37 157.88 43.54 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 104.397 -2.446 . . . . 25.0 104.397 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.8 tp10 -140.83 -179.37 6.02 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 123.22 0.325 . . . . 50.0 111.269 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.0 mp -121.08 137.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.926 -168.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -116.17 149.86 38.38 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.03 77.43 0.1 OUTLIER Glycine 0 N--CA 1.464 0.512 0 C-N-CA 119.758 -1.211 . . . . 25.0 113.256 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.3 -77.92 0.02 OUTLIER Glycine 0 C--O 1.238 0.345 0 N-CA-C 119.495 2.558 . . . . 25.0 119.495 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.51 -176.07 11.04 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-O 122.8 1.222 . . . . 25.0 113.733 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.42 165.89 4.71 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 116.934 1.534 . . . . 25.0 116.934 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.9 81.87 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -78.88 152.12 31.39 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.886 1.069 . . . . 50.0 113.886 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -128.96 104.06 7.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.004 -2.221 . . . . 25.0 105.004 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.84 118.33 25.27 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.36 136.19 48.42 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.95 -1.871 . . . . 25.0 105.95 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.59 -6.38 2.65 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 119.036 -0.869 . . . . 25.0 115.248 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 18.33 -95.84 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 118.279 2.696 . . . . 25.0 118.279 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.57 166.46 54.18 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-O 122.512 1.062 . . . . 25.0 115.508 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.65 167.41 34.58 Favored Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 110.764 -0.934 . . . . 25.0 110.764 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.74 133.87 13.71 Favored Glycine 0 C--N 1.313 -0.706 0 N-CA-C 106.962 -2.455 . . . . 25.0 106.962 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.86 154.84 43.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 117.208 0.504 . . . . 50.0 111.1 -170.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.51 101.61 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -125.55 130.16 51.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -168.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.28 121.97 44.53 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 170.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.66 -21.31 54.07 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 115.791 1.076 . . . . 25.0 115.791 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.506 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.94 -160.25 42.35 Favored Glycine 0 N--CA 1.424 -2.114 0 CA-C-O 125.203 2.557 . . . . 25.0 113.124 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 149.11 30.61 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.682 -3.259 . . . . 25.0 111.944 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -174.03 30.51 Favored Glycine 0 C--N 1.313 -0.731 0 CA-C-N 113.456 -1.702 . . . . 25.0 114.97 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.21 107.18 19.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.64 154.94 25.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.885 -1.052 . . . . 50.0 113.287 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -120.27 108.62 14.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -119.27 109.26 15.61 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.573 -0.251 . . . . 25.0 110.668 -172.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.43 37.9 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.953 0.797 . . . . 25.0 110.381 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.35 -4.94 2.14 Favored Glycine 0 N--CA 1.464 0.559 0 N-CA-C 117.749 1.86 . . . . 25.0 117.749 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 35.9 -125.38 0.81 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 125.196 2.553 . . . . 25.0 118.934 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.08 145.41 46.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 109.851 -3.175 . . . . 25.0 111.575 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.4 161.18 36.4 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 115.518 0.967 . . . . 25.0 115.518 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.66 67.16 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -68.92 153.79 43.17 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.042 -1.436 . . . . 50.0 109.655 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 m -113.01 96.42 5.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.968 0.89 . . . . 25.0 108.753 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -87.42 124.63 33.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 102.411 -3.181 . . . . 25.0 102.411 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -122.98 146.15 47.87 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.81 0.814 . . . . 25.0 111.38 -164.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -123.37 101.76 7.53 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.54 -1.209 . . . . 25.0 111.681 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.65 1.16 37.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.257 -2.498 . . . . 25.0 104.257 161.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.49 90.78 8.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.214 -1.357 . . . . 25.0 110.878 -175.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttt-85 -86.86 -72.74 0.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.904 -1.044 . . . . 25.0 113.278 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.54 1.162 . . . . 25.0 108.16 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -73.85 -8.36 55.77 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 114.363 -1.289 . . . . 25.0 111.704 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -132.0 38.52 3.51 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.421 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 18.4 pt20 -102.0 164.91 11.46 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.23 156.59 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -150.77 170.71 18.57 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.38 -24.13 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -6.16 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.524 0.678 . . . . 25.0 112.557 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.25 153.35 5.89 Favored Glycine 0 C--N 1.316 -0.573 0 CA-C-N 115.279 -0.873 . . . . 25.0 114.194 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.6 140.54 49.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 122.365 -0.491 . . . . 25.0 111.045 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -123.62 91.94 3.58 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.871 -2.64 . . . . 25.0 103.871 175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 p -124.26 177.64 5.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.661 -0.699 . . . . 25.0 110.122 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.02 110.68 18.55 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -90.3 105.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.73 120.33 38.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -101.74 159.55 15.23 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.396 0.278 . . . . 25.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.32 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.86 40.63 0.74 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.639 1.718 . . . . 25.0 115.639 -169.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -140.16 72.07 33.35 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 117.98 2.585 . . . . 25.0 117.98 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -87.63 22.02 0.96 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 N-CA-C 110.405 -0.652 . . . . 25.0 110.405 164.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.36 4.98 0.54 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.803 1.641 . . . . 25.0 114.908 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -138.27 30.69 2.41 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.35 0.66 . . . . 25.0 110.953 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.18 156.57 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 175.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -110.99 128.65 55.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.114 0.959 . . . . 25.0 112.882 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.25 126.93 54.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 105.846 -1.909 . . . . 25.0 105.846 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -116.81 115.75 26.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.34 16.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.198 -0.668 . . . . 25.0 109.198 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -65.74 -31.05 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.064 -0.397 . . . . 25.0 111.974 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.59 -14.08 38.45 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -51.97 4.34 Favored Glycine 0 N--CA 1.454 -0.156 0 N-CA-C 108.54 -1.824 . . . . 25.0 108.54 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 65.67 173.72 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.813 1.245 . . . . 25.0 109.686 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -126.18 -45.56 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 177.07 27.98 Favored Glycine 0 CA--C 1.509 -0.306 0 N-CA-C 106.553 -2.619 . . . . 25.0 106.553 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -127.19 24.36 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.539 1.17 . . . . 25.0 108.824 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.46 66.69 1.95 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.482 1.353 . . . . 25.0 116.482 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 61.66 21.04 11.84 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 25.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.89 71.73 Favored Glycine 0 C--O 1.228 -0.271 0 N-CA-C 118.101 2.0 . . . . 25.0 118.101 166.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -125.63 166.78 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.097 0.948 . . . . 25.0 109.67 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.06 38.87 30.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.622 0.769 . . . . 25.0 110.417 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.73 -10.21 47.15 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -75.58 171.23 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.076 0.938 . . . . 25.0 110.023 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.96 170.82 7.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.267 -1.753 . . . . 25.0 106.267 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.44 152.5 40.19 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 p -115.51 139.93 39.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -146.25 152.82 39.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.608 -1.997 . . . . 25.0 105.608 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.62 134.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.66 122.09 39.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -80.68 -22.98 39.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.97 0.414 . . . . 25.0 111.334 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.9 -26.96 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.8 -8.43 54.29 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.51 30.06 7.92 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.381 1.072 . . . . 25.0 111.913 -176.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -130.28 148.72 52.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.18 0.808 . . . . 25.0 113.18 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -116.96 104.03 10.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 103.634 -2.728 . . . . 25.0 103.634 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -88.29 142.26 27.89 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.979 -2.828 . . . . 25.0 109.026 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -126.82 122.97 36.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -157.75 163.82 37.72 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.6 t -113.52 152.59 30.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.864 -3.013 . . . . 25.0 102.864 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.48 3.83 2.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.139 -0.937 . . . . 25.0 112.915 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.71 -33.07 74.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.617 0.723 . . . . 25.0 110.491 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.9 p -136.85 137.66 39.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 106.393 -1.706 . . . . 25.0 106.393 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.32 -71.33 0.65 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.435 -1.257 . . . . 25.0 110.342 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.77 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 19.4 mp0 -78.36 -22.14 48.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.957 -175.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -171.34 82.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 106.743 -2.543 . . . . 25.0 106.743 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 117.73 7.52 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 123.281 1.515 . . . . 25.0 109.72 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.24 166.06 12.8 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 111.611 -2.541 . . . . 25.0 110.208 -164.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 37.0 m-85 -91.79 154.62 18.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.791 -0.641 . . . . 25.0 110.986 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -144.26 132.49 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.839 0.455 . . . . 25.0 110.294 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.64 166.07 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 173.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.1 t -147.77 147.02 29.42 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -130.47 131.59 45.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -78.72 110.29 13.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.75 -177.47 25.99 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 106.588 -2.605 . . . . 25.0 106.588 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -123.04 30.34 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 13.0 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -174.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.02 64.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.307 -1.738 . . . . 25.0 106.307 171.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.78 60.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.191 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.69 37.95 3.09 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.422 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.97 117.85 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 96.1 p -158.94 166.08 32.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.63 68.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.151 0.5 . . . . 25.0 110.597 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.57 -31.43 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.54 -40.31 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 174.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -128.86 123.45 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -98.51 134.2 41.8 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -142.3 169.4 17.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.68 30.54 3.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.411 0.624 . . . . 25.0 111.231 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo . . . . . 0 C--O 1.235 0.332 0 N-CA-C 114.079 0.761 . . . . 25.0 114.079 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.54 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.59 116.02 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.62 -138.96 3.16 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 112.966 -1.924 . . . . 25.0 110.71 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.147 0.499 . . . . 25.0 110.707 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -86.9 2.89 47.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 25.0 109.626 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.27 175.84 10.26 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -67.71 111.8 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 173.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -92.61 128.99 38.67 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.582 -1.266 . . . . 50.0 107.582 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 95.27 4.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.1 -2.556 . . . . 25.0 104.1 165.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.41 153.95 47.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -172.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.45 149.14 50.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.93 0.872 . . . . 25.0 112.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.63 -39.7 2.01 Favored Glycine 0 CA--C 1.497 -1.067 0 CA-C-N 113.913 -1.494 . . . . 25.0 111.467 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p 46.54 -146.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.882 -1.159 . . . . 25.0 111.44 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.98 -8.53 5.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.749 2.129 . . . . 25.0 116.749 -170.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.22 137.86 58.04 Favored 'General case' 0 C--O 1.252 1.205 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 46.17 3.62 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 110.299 -1.121 . . . . 25.0 110.299 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -151.42 157.86 42.95 Favored 'General case' 0 C--O 1.253 1.262 0 N-CA-C 104.153 -2.536 . . . . 25.0 104.153 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.95 -179.78 6.27 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.827 0.346 . . . . 50.0 111.595 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.6 mp -121.47 137.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.025 -168.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -115.04 154.64 28.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.143 -1.799 . . . . 25.0 106.143 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.06 75.21 0.08 OUTLIER Glycine 0 C--N 1.319 -0.363 0 C-N-CA 120.057 -1.068 . . . . 25.0 112.511 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.36 -76.13 0.03 OUTLIER Glycine 0 C--O 1.237 0.31 0 N-CA-C 119.428 2.531 . . . . 25.0 119.428 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.69 -176.45 12.03 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-O 122.767 1.204 . . . . 25.0 113.859 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.02 165.03 4.92 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.844 1.497 . . . . 25.0 116.844 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.16 81.52 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.98 151.62 31.49 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -170.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.4 104.31 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.678 -2.341 . . . . 25.0 104.678 171.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.94 121.74 33.98 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 105.127 -2.175 . . . . 25.0 105.127 -171.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -110.5 135.84 50.55 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.49 -6.95 2.25 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 115.572 0.989 . . . . 25.0 115.572 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 20.08 -100.93 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.21 167.81 54.85 Favored Glycine 0 C--O 1.258 1.612 0 N-CA-C 115.848 1.099 . . . . 25.0 115.848 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 166.36 34.68 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.193 -1.004 . . . . 25.0 110.669 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.69 132.56 12.06 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 107.003 -2.439 . . . . 25.0 107.003 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -127.04 154.11 45.09 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 117.015 0.407 . . . . 50.0 111.251 -169.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -138.71 101.54 4.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.21 131.86 53.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -170.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.4 116.38 24.67 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.87 -19.97 60.41 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 -174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.35 -158.73 38.62 Favored Glycine 0 N--CA 1.425 -2.063 0 CA-C-O 125.339 2.633 . . . . 25.0 113.487 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.98 149.22 32.65 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 109.397 -3.401 . . . . 25.0 111.697 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.66 -174.38 29.25 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.566 -1.652 . . . . 25.0 115.002 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -99.12 104.97 17.0 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -111.83 151.6 28.88 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -118.96 109.35 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.5 mt -120.92 102.71 8.53 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 144.49 26.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.218 -0.926 . . . . 25.0 110.366 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.92 -2.17 1.45 Allowed Glycine 0 N--CA 1.46 0.239 0 N-CA-C 117.022 1.569 . . . . 25.0 117.022 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 31.09 -127.07 0.18 Allowed Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 119.9 2.72 . . . . 25.0 119.9 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.81 142.92 44.11 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 109.892 -3.154 . . . . 25.0 111.447 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.6 159.41 32.82 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 174.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 66.78 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.31 154.84 41.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.064 -1.426 . . . . 50.0 109.619 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.1 m -113.74 99.92 8.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.704 0.764 . . . . 25.0 108.98 174.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -92.08 125.82 36.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -127.91 145.04 51.08 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.929 0.871 . . . . 25.0 111.8 -164.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -118.81 102.21 8.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.337 -1.302 . . . . 25.0 112.062 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.51 36.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.221 -2.511 . . . . 25.0 104.221 161.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.71 92.15 9.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.268 -1.333 . . . . 25.0 110.482 -176.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -86.46 -71.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 -172.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -72.1 -17.4 61.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -74.32 -9.81 58.97 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.218 -1.356 . . . . 25.0 112.079 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -131.0 35.28 3.96 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.57 165.79 10.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.9 157.48 46.32 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.0 p -150.88 167.34 27.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.106 -2.553 . . . . 25.0 104.106 170.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.31 -24.96 64.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.75 -5.88 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 25.0 111.96 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.25 4.29 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 115.082 -0.963 . . . . 25.0 113.546 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -118.93 142.19 47.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -125.21 92.18 3.58 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 p -119.78 178.16 4.69 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.79 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.3 110.58 15.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.126 -1.064 . . . . 50.0 108.126 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.49 104.6 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.76 125.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.41 165.8 11.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 22.92 79.71 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.608 2.077 . . . . 25.0 116.608 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.75 41.02 1.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.824 -1.535 . . . . 25.0 114.951 -169.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -140.0 71.36 35.0 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 117.946 2.573 . . . . 25.0 117.946 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.24 22.94 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 N-CA-C 110.204 -0.729 . . . . 25.0 110.204 164.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.54 4.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.83 1.652 . . . . 25.0 114.886 -171.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -139.57 32.42 2.06 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.357 0.663 . . . . 25.0 111.131 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.94 156.68 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.803 -1.554 . . . . 50.0 106.803 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -111.1 127.02 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.277 1.037 . . . . 25.0 113.423 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 tp -115.27 126.94 55.11 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.925 -1.879 . . . . 25.0 105.925 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.31 117.43 29.5 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.717 -0.22 . . . . 25.0 110.464 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.3 m -124.38 14.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -66.76 -28.6 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.21 -13.83 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.5 -13.88 39.17 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 174.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.79 -50.09 4.13 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 108.549 -1.821 . . . . 25.0 108.549 -169.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 66.36 171.35 0.24 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.948 1.299 . . . . 25.0 109.188 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 p -120.17 -31.73 4.33 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.77 179.19 16.24 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 108.627 -1.789 . . . . 25.0 108.627 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.89 36.94 4.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.016 0.908 . . . . 25.0 111.193 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.23 3.75 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.216 -0.902 . . . . 25.0 115.215 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 58.99 26.74 15.42 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.46 9.01 84.13 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 117.755 1.862 . . . . 25.0 117.755 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -124.13 168.32 13.06 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.862 0.831 . . . . 25.0 109.74 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.34 27.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.867 0.867 . . . . 25.0 109.611 -174.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.62 -11.87 24.18 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 115.212 0.845 . . . . 25.0 115.212 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 p -75.44 171.75 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.699 0.75 . . . . 25.0 110.362 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.09 170.55 7.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.66 152.91 44.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.76 144.62 20.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -145.7 150.39 36.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.41 132.88 64.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.29 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.82 -25.91 44.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.968 0.413 . . . . 25.0 111.183 -174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.8 -26.25 65.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.562 0.696 . . . . 25.0 109.539 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.0 -9.46 51.99 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.326 -1.11 . . . . 25.0 110.326 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.33 32.02 10.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.168 0.987 . . . . 25.0 111.457 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -131.16 152.68 50.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.9 t -123.66 106.16 10.31 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -91.46 145.5 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 111.278 -2.692 . . . . 25.0 109.457 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.22 126.85 40.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -157.64 167.42 30.16 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 t -115.8 153.95 30.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 102.884 -3.006 . . . . 25.0 102.884 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.3 3.24 2.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.01 -33.12 74.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.65 0.738 . . . . 25.0 110.173 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.4 p -135.51 140.58 44.88 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 104.704 -2.332 . . . . 25.0 104.704 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.57 -74.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.978 -1.01 . . . . 25.0 113.37 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.72 -37.8 12.79 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 122.092 0.948 . . . . 25.0 108.646 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.666 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.01 -30.93 71.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.178 -1.373 . . . . 25.0 110.377 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.48 64.51 0.55 Allowed Glycine 0 CA--C 1.501 -0.821 0 N-CA-C 106.097 -2.801 . . . . 25.0 106.097 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 121.81 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.589 1.185 . . . . 25.0 108.649 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 33.6 p -119.0 165.81 13.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 112.544 -2.116 . . . . 25.0 110.154 -160.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.27 150.87 46.93 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -140.55 127.98 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 171.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.4 164.62 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 106.476 -1.675 . . . . 25.0 106.476 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.39 148.79 33.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tt -134.07 131.12 38.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -79.26 113.57 17.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.31 179.99 21.17 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 106.673 -2.571 . . . . 25.0 106.673 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.08 32.05 6.12 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 14.43 0.08 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.427 1.269 . . . . 25.0 114.427 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.88 -29.19 62.98 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 170.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.88 -8.97 58.18 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.195 174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.34 39.38 3.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.154 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.3 mt -74.1 119.53 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -160.61 164.88 31.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.38 -30.44 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 25.0 110.617 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.85 -31.6 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.104 -0.373 . . . . 25.0 110.255 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.85 -40.52 39.98 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.2 mt -129.34 126.04 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.9 tp -99.37 131.98 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -141.95 168.79 18.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.65 31.7 3.07 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.298 0.571 . . . . 25.0 111.118 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.462 -0.325 0 N-CA-C 113.301 0.462 . . . . 25.0 113.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.22 125.54 39.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.18 112.31 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-O 123.081 1.42 . . . . 25.0 108.583 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.79 -136.96 2.7 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 112.943 -1.935 . . . . 25.0 110.169 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -129.9 170.65 13.66 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.244 -0.562 . . . . 25.0 110.528 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -87.26 2.55 49.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.543 0.687 . . . . 25.0 109.404 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.01 174.36 11.67 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.47 110.52 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.32 124.29 38.25 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -114.62 95.07 5.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.111 -2.181 . . . . 25.0 105.111 166.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -136.8 153.95 50.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 -173.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -127.86 148.24 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.237 1.017 . . . . 25.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 -41.37 2.16 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.176 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.1 p 45.2 -144.67 0.17 Allowed 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.166 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.18 -10.47 4.52 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 117.23 2.307 . . . . 25.0 117.23 -170.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 140.25 58.14 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.69 44.96 3.42 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 108.9 -1.68 . . . . 25.0 108.9 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -150.08 151.06 32.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.896 -2.261 . . . . 25.0 104.896 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.294 3.2 tp10 -141.14 157.32 45.44 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.871 1.804 . . . . 75.0 115.871 -171.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -99.65 139.9 20.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-N 114.914 -1.039 . . . . 25.0 111.504 -165.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -115.3 148.49 39.15 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.76 72.77 0.08 OUTLIER Glycine 0 N--CA 1.465 0.579 0 C-N-CA 120.061 -1.066 . . . . 25.0 113.097 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.47 -76.92 0.02 OUTLIER Glycine 0 C--O 1.237 0.3 0 N-CA-C 119.309 2.484 . . . . 25.0 119.309 -168.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.4 11.02 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-O 122.826 1.236 . . . . 25.0 114.062 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 164.63 4.77 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 81.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -78.68 151.87 31.95 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -170.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.6 104.47 7.68 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.54 121.34 33.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.242 -2.133 . . . . 25.0 105.242 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -109.48 136.08 49.46 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.79 -1.929 . . . . 25.0 105.79 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 -7.34 2.43 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.606 1.002 . . . . 25.0 115.606 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 18.36 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 119.015 2.968 . . . . 25.0 119.015 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.75 167.66 54.79 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.141 -1.028 . . . . 25.0 115.314 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.63 167.35 34.43 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 117.695 0.748 . . . . 25.0 112.174 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.42 130.52 9.82 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -124.33 152.69 42.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.673 0.736 . . . . 50.0 110.55 -168.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.0 mt -138.4 97.91 3.48 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.51 133.04 54.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -170.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 115.45 18.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 172.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.85 -17.79 69.35 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 117.036 1.574 . . . . 25.0 117.036 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.6 -158.18 43.95 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.164 2.535 . . . . 25.0 112.773 -178.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 149.34 35.77 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 109.731 -3.234 . . . . 25.0 111.787 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.82 -174.37 29.04 Favored Glycine 0 C--N 1.312 -0.759 0 CA-C-N 113.618 -1.628 . . . . 25.0 115.344 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -97.71 103.98 15.96 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -111.36 150.43 29.75 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -170.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -117.76 109.32 16.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.5 mt -120.68 102.16 8.21 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.35 142.94 27.88 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.238 -0.914 . . . . 25.0 110.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.78 -9.95 1.45 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 116.674 1.43 . . . . 25.0 116.674 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.36 -128.03 2.25 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-O 125.466 2.703 . . . . 25.0 119.017 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -56.55 143.1 36.81 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.383 -3.408 . . . . 25.0 111.978 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.75 160.93 37.0 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 115.639 1.016 . . . . 25.0 115.639 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.12 66.24 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.448 1.099 . . . . 25.0 108.334 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -67.13 154.29 41.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.015 -1.448 . . . . 50.0 109.611 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.1 m -112.58 98.67 7.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -92.73 123.07 35.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 102.55 -3.13 . . . . 25.0 102.55 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -126.37 144.96 50.64 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-O 121.983 0.896 . . . . 25.0 111.895 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.91 103.59 9.18 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.233 -1.349 . . . . 25.0 111.764 -172.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.3 1.23 35.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.302 -2.481 . . . . 25.0 104.302 161.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.99 90.86 8.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.167 -1.378 . . . . 25.0 110.753 -175.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -87.0 -71.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -173.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -71.32 -17.96 62.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.484 1.135 . . . . 25.0 107.95 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -74.35 -8.79 57.46 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.531 -1.213 . . . . 25.0 111.819 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 36.86 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.167 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -102.69 165.1 11.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 152.97 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.183 0.809 . . . . 25.0 113.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.3 p -150.55 171.36 17.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 171.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.85 -24.21 66.11 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.68 54.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 25.0 111.978 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.11 152.88 5.75 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 114.211 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -118.98 139.4 51.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.089 0.471 . . . . 25.0 110.039 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.69 92.57 3.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 103.782 -2.673 . . . . 25.0 103.782 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 p -121.07 173.43 7.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 25.0 110.786 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.71 110.63 19.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.04 104.51 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -84.64 126.02 40.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.78 165.61 11.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 22.9 79.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -144.74 39.71 1.26 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.831 -1.531 . . . . 25.0 114.846 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -139.76 71.76 36.14 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 117.806 2.521 . . . . 25.0 117.806 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.95 22.25 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 N-CA-C 110.087 -0.774 . . . . 25.0 110.087 163.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 59.36 6.97 0.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.768 1.627 . . . . 25.0 114.346 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.6 54.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 155.99 21.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 173.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.14 127.46 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.269 1.033 . . . . 25.0 113.371 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 tp -116.71 130.32 56.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 174.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -119.84 118.42 30.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.182 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.28 14.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.7 p -66.1 -30.19 70.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.013 -0.43 . . . . 25.0 111.901 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.45 60.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.5 mt -88.21 -13.97 39.73 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 174.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.53 -50.82 4.4 Favored Glycine 0 CA--C 1.517 0.164 0 N-CA-C 108.254 -1.939 . . . . 25.0 108.254 -168.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.6 t80 65.65 171.81 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.989 1.316 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.3 -31.91 3.99 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.03 178.24 15.6 Favored Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.4 38.17 4.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.191 0.995 . . . . 25.0 111.163 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.7 57.11 4.22 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.196 -0.911 . . . . 25.0 115.007 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 58.19 26.19 13.49 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.559 1.688 . . . . 25.0 115.559 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.26 83.55 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 117.739 1.856 . . . . 25.0 117.739 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -121.36 167.66 12.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.085 0.943 . . . . 25.0 109.771 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 38.43 29.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.834 0.854 . . . . 25.0 109.996 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.09 -10.72 25.73 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.172 0.829 . . . . 25.0 115.172 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 p -75.93 172.67 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.794 0.797 . . . . 25.0 109.979 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.72 168.55 9.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.14 152.99 39.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.082 -1.822 . . . . 25.0 106.082 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.51 144.0 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 106.353 -1.721 . . . . 25.0 106.353 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -144.39 148.57 34.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.73 131.79 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.04 39.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.08 -28.68 54.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.483 . . . . 25.0 111.137 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.17 -26.76 65.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.439 0.638 . . . . 25.0 109.853 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.26 -9.51 53.38 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.661 -0.976 . . . . 25.0 110.661 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.25 32.47 10.85 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.221 1.008 . . . . 25.0 111.517 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -132.39 155.91 47.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.672 -0.694 . . . . 25.0 112.684 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.9 t -127.73 108.8 11.05 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 103.696 -2.705 . . . . 25.0 103.696 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -94.4 145.85 24.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 111.704 -2.498 . . . . 25.0 109.498 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -129.85 125.5 35.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.599 -1.259 . . . . 25.0 107.599 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -157.07 167.89 29.1 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 t -118.3 151.45 37.66 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.8 1.97 2.84 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.339 0.866 . . . . 25.0 113.339 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.48 -33.38 74.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.549 0.69 . . . . 25.0 110.467 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.1 p -134.9 140.33 45.69 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -127.28 -73.67 0.6 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.244 -1.344 . . . . 25.0 110.751 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.75 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 18.3 mp0 -76.36 -25.21 54.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.265 -1.334 . . . . 25.0 110.627 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.83 75.05 0.16 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 109.787 -1.325 . . . . 25.0 109.787 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 128.35 35.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.6 p -122.55 165.73 15.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.258 -164.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 154.06 42.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.103 0.478 . . . . 25.0 111.658 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -141.07 130.85 24.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.62 164.15 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.38 131.22 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -79.13 114.01 17.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.18 179.97 21.05 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 106.892 -2.483 . . . . 25.0 106.892 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -120.67 32.0 6.18 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.717 -0.845 . . . . 25.0 108.717 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 15.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.34 -29.64 64.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.206 -1.775 . . . . 25.0 106.206 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.21 57.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.387 -0.824 . . . . 25.0 109.254 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.43 41.13 3.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.236 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.56 122.13 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.7 p -161.54 165.06 29.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.32 69.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 25.0 110.765 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.83 -32.12 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.069 -0.394 . . . . 25.0 110.169 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.78 -41.28 45.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.488 . . . . 25.0 112.316 174.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 23.7 mt -129.46 125.2 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -97.36 133.19 42.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -140.18 168.86 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.97 31.38 3.28 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.388 0.614 . . . . 25.0 111.176 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo . . . . . 0 C--O 1.236 0.401 0 N-CA-C 114.089 0.765 . . . . 25.0 114.089 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.03 132.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 106.536 -1.654 . . . . 25.0 106.536 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -89.58 114.92 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-O 122.996 1.379 . . . . 25.0 107.878 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.47 -137.19 2.63 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 113.003 -1.908 . . . . 25.0 110.236 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -129.02 169.95 14.07 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.357 -0.496 . . . . 25.0 110.146 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.78 2.99 46.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.516 0.674 . . . . 25.0 109.425 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.69 174.95 11.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.86 111.07 4.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.83 127.13 39.41 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.97 95.37 4.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 104.675 -2.342 . . . . 25.0 104.675 166.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -136.4 153.77 51.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -126.24 148.11 49.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.976 0.893 . . . . 25.0 112.131 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.16 -37.18 2.01 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 113.954 -1.476 . . . . 25.0 111.411 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p 48.05 -148.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.254 -0.973 . . . . 25.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.04 -9.14 19.67 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.224 1.935 . . . . 25.0 116.224 -170.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 139.56 57.11 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 174.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.54 48.23 4.0 Favored Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.172 -1.171 . . . . 25.0 110.172 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -151.14 150.3 30.49 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.1 tp10 -140.71 -179.32 5.98 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.203 0.816 . . . . 75.0 113.203 -176.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -112.52 140.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.716 0.77 . . . . 25.0 113.035 -167.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -111.9 149.34 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 105.092 -2.188 . . . . 25.0 105.092 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.94 69.12 0.06 OUTLIER Glycine 0 N--CA 1.464 0.523 0 C-N-CA 120.058 -1.068 . . . . 25.0 112.98 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.81 0.03 OUTLIER Glycine 0 C--O 1.239 0.447 0 N-CA-C 119.788 2.675 . . . . 25.0 119.788 -168.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.78 -176.64 10.08 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-O 122.78 1.211 . . . . 25.0 114.358 -174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 165.58 5.27 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 116.844 1.498 . . . . 25.0 116.844 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.12 81.57 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.71 150.88 32.42 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 -170.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.07 104.01 7.54 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 104.423 -2.436 . . . . 25.0 104.423 172.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.1 mt -123.72 117.44 24.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 104.81 -2.293 . . . . 25.0 104.81 -170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -103.16 136.08 43.62 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 104.705 -2.332 . . . . 25.0 104.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.29 -4.6 2.23 Favored Glycine 0 C--O 1.214 -1.111 0 C-N-CA 120.415 -0.898 . . . . 25.0 113.73 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 19.51 -104.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 116.559 2.059 . . . . 25.0 116.559 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.62 171.94 54.08 Favored Glycine 0 C--O 1.244 0.733 0 N-CA-C 116.946 1.539 . . . . 25.0 116.946 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.14 164.33 37.21 Favored Glycine 0 C--O 1.247 0.911 0 CA-C-N 114.113 -1.043 . . . . 25.0 113.859 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.0 131.37 10.61 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 105.094 -3.202 . . . . 25.0 105.094 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.68 158.09 45.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.092 0.946 . . . . 50.0 111.335 -165.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -135.96 97.92 3.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.05 132.31 54.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -171.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.29 116.37 19.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 -17.83 71.69 Favored Glycine 0 C--O 1.228 -0.261 0 N-CA-C 116.136 1.214 . . . . 25.0 116.136 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.24 -156.63 44.79 Favored Glycine 0 N--CA 1.425 -2.081 0 CA-C-O 125.43 2.683 . . . . 25.0 113.329 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 148.12 37.62 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.333 -3.433 . . . . 25.0 111.857 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.41 29.93 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.585 -1.643 . . . . 25.0 115.112 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -98.54 104.86 16.94 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 104.97 -2.233 . . . . 25.0 104.97 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -111.86 154.12 25.62 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -121.62 110.2 15.7 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.6 mt -121.51 108.11 13.24 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -171.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 146.92 26.01 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.223 0.92 . . . . 25.0 111.903 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.01 17.05 0.81 Allowed Glycine 0 C--O 1.245 0.785 0 N-CA-C 117.602 1.801 . . . . 25.0 117.602 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 4.9 -116.92 0.01 OUTLIER Glycine 0 N--CA 1.465 0.586 0 N-CA-C 122.152 3.621 . . . . 25.0 122.152 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.31 145.99 54.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.593 -1.303 . . . . 25.0 109.854 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.77 162.63 26.93 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.758 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.91 73.7 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 153.64 42.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.323 -1.762 . . . . 50.0 108.136 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.3 m -118.16 95.96 5.12 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 169.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -88.92 124.12 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 103.271 -2.863 . . . . 25.0 103.271 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -121.08 140.31 52.14 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.177 -165.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -118.99 101.07 7.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.825 -1.08 . . . . 25.0 110.778 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 1.71 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.231 -2.507 . . . . 25.0 104.231 162.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.6 91.05 8.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.29 -176.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -85.48 -71.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -72.1 -16.68 62.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -75.99 -8.75 57.67 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-N 114.233 -1.349 . . . . 25.0 112.279 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.22 33.8 4.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.617 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -102.15 166.23 10.72 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.462 0.912 . . . . 25.0 113.462 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.24 156.83 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.67 167.6 26.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.772 -2.307 . . . . 25.0 104.772 171.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.25 65.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.26 -6.2 50.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.792 0.806 . . . . 25.0 111.976 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.77 148.94 4.85 Favored Glycine 0 C--N 1.316 -0.542 0 CA-C-N 115.001 -0.999 . . . . 25.0 113.375 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -118.95 143.04 47.25 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -125.56 92.41 3.6 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 p -121.79 177.76 5.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.29 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.91 110.76 15.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.22 104.49 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.63 125.86 40.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -101.52 165.51 11.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 22.66 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.588 2.07 . . . . 25.0 116.588 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -144.09 37.29 1.27 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.821 -1.536 . . . . 25.0 114.841 -169.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -137.34 68.94 54.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 117.485 2.402 . . . . 25.0 117.485 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.39 20.9 1.12 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 N-CA-C 110.0 -0.808 . . . . 25.0 110.0 163.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.09 4.52 0.44 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.872 1.669 . . . . 25.0 114.699 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -142.11 51.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.842 0.857 . . . . 25.0 109.116 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.13 154.09 22.22 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 104.466 -2.42 . . . . 50.0 104.466 172.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -111.08 131.6 54.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.085 0.945 . . . . 25.0 112.767 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -119.09 130.93 55.85 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -119.64 117.36 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -123.43 13.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.0 p -66.72 -29.14 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.999 -0.438 . . . . 25.0 111.85 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.08 -13.97 62.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.13 -14.35 38.95 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.93 -50.88 4.23 Favored Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 108.196 -1.962 . . . . 25.0 108.196 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.6 t80 65.48 171.45 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.931 1.292 . . . . 25.0 109.701 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 p -119.94 -31.33 4.5 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.37 -179.88 16.7 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 109.153 -1.579 . . . . 25.0 109.153 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -123.01 41.14 3.54 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.181 0.991 . . . . 25.0 111.489 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.91 55.44 4.52 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-N 115.415 -0.811 . . . . 25.0 114.578 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.52 28.31 16.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.57 7.35 84.61 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 117.873 1.909 . . . . 25.0 117.873 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -124.7 168.67 12.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.767 0.783 . . . . 25.0 109.693 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.04 37.98 26.62 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.886 0.874 . . . . 25.0 109.527 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.11 -12.84 16.89 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 115.269 0.868 . . . . 25.0 115.269 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -74.84 172.3 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.036 -0.685 . . . . 25.0 110.489 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.35 169.41 8.5 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.77 152.84 43.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.49 143.95 21.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.25 129.88 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -120.88 124.31 44.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -75.15 -24.84 58.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.93 -26.71 66.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.557 0.694 . . . . 25.0 109.698 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.51 -9.85 49.2 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.48 -1.048 . . . . 25.0 110.48 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.3 32.13 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.084 0.953 . . . . 25.0 111.239 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -131.61 153.69 49.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.762 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.9 t -123.92 106.02 10.09 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.139 -2.541 . . . . 25.0 104.139 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.26 145.27 24.8 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 111.47 -2.605 . . . . 25.0 109.156 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.97 126.5 37.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -157.66 166.79 31.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 t -115.36 153.15 31.52 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 103.007 -2.96 . . . . 25.0 103.007 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.88 1.05 2.73 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.1 -34.18 77.06 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.522 0.677 . . . . 25.0 110.6 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.2 p -134.46 138.65 44.92 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -177.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.94 -71.58 0.73 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.177 -1.374 . . . . 25.0 112.748 -176.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.03 -34.36 14.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.68 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 3.3 mp0 -68.48 -28.84 67.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.078 -1.419 . . . . 25.0 110.45 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.39 70.88 0.3 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.361 -2.296 . . . . 25.0 107.361 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 122.69 17.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.414 1.102 . . . . 25.0 108.462 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.5 p -120.0 166.06 13.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 112.876 -1.965 . . . . 25.0 110.413 -160.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -68.59 151.25 47.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -142.28 128.57 19.92 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 170.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.36 164.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.643 -1.614 . . . . 25.0 106.643 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -145.17 147.19 32.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.0 130.57 39.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.29 113.63 17.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.32 179.49 21.65 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.96 33.41 5.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 17.13 0.06 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.7 -30.09 65.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 170.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.1 57.24 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.332 -0.849 . . . . 25.0 109.477 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.97 41.72 3.42 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.224 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.53 122.32 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.0 p -161.34 165.08 29.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.052 0.453 . . . . 25.0 110.836 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -72.79 -31.31 64.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.006 -0.434 . . . . 25.0 110.191 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.73 -41.62 44.37 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.085 0.402 . . . . 25.0 111.998 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.2 mt -129.48 124.64 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -176.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.4 tp -95.91 133.0 40.62 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -139.18 168.79 19.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.72 31.56 3.35 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.386 0.612 . . . . 25.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.233 0.266 0 N-CA-C 114.14 0.785 . . . . 25.0 114.14 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.31 126.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -87.95 112.27 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-O 122.839 1.304 . . . . 25.0 108.196 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.26 2.1 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.387 -1.733 . . . . 25.0 109.572 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -136.04 175.13 9.88 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.987 -0.713 . . . . 25.0 110.215 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -87.23 3.66 45.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 172.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 tp -79.25 170.75 16.16 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 114.819 -1.082 . . . . 25.0 108.162 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 100.32 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.268 1.027 . . . . 25.0 108.461 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.35 121.53 31.7 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 109.425 -0.583 . . . . 50.0 109.425 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.76 95.27 5.39 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 165.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -134.51 153.62 51.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.472 -1.306 . . . . 25.0 107.472 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -128.07 149.15 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.859 0.838 . . . . 25.0 112.072 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.11 -40.97 1.73 Allowed Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.344 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 p 46.05 -142.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.965 -1.118 . . . . 25.0 111.323 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.91 -12.8 12.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.672 2.101 . . . . 25.0 116.672 -170.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 138.79 58.36 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 43.25 3.23 Favored Glycine 0 C--O 1.217 -0.931 0 N-CA-C 110.311 -1.116 . . . . 25.0 110.311 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.79 143.49 28.68 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -141.1 153.72 45.56 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 115.511 1.671 . . . . 75.0 115.511 -172.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -86.11 141.0 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 113.374 -1.739 . . . . 25.0 112.497 -164.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -116.95 150.97 37.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.215 1.806 . . . . 25.0 106.195 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 78.5 0.05 OUTLIER Glycine 0 N--CA 1.465 0.58 0 C-N-CA 119.799 -1.191 . . . . 25.0 114.388 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -35.73 -76.08 0.06 OUTLIER Glycine 0 N--CA 1.459 0.174 0 N-CA-C 120.634 3.014 . . . . 25.0 120.634 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -174.77 9.49 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 115.564 0.985 . . . . 25.0 115.564 -172.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.38 167.8 6.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 116.105 1.202 . . . . 25.0 116.105 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 81.26 5.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.79 148.9 38.1 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.074 -0.966 . . . . 50.0 113.164 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -129.57 104.09 7.25 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.78 117.88 24.36 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 -170.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.2 136.42 47.89 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.37 -8.66 2.23 Favored Glycine 0 C--O 1.206 -1.618 0 N-CA-C 115.429 0.932 . . . . 25.0 115.429 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 19.87 -99.3 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 119.104 3.002 . . . . 25.0 119.104 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.9 54.64 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 115.996 1.158 . . . . 25.0 115.996 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.4 167.9 32.3 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.522 -0.631 . . . . 25.0 111.522 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.16 133.45 14.12 Favored Glycine 0 C--N 1.315 -0.59 0 N-CA-C 107.615 -2.194 . . . . 25.0 107.615 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -128.17 153.85 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.47 0.635 . . . . 50.0 110.614 -169.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.6 mt -138.76 98.01 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.39 140.2 53.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -167.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -141.53 159.87 41.33 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.66 33.19 1.08 Allowed Glycine 0 C--O 1.219 -0.806 0 C-N-CA 120.081 -1.057 . . . . 25.0 113.759 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.66 -129.71 0.01 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.816 3.086 . . . . 25.0 120.816 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 147.93 52.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.068 -2.066 . . . . 25.0 112.092 -174.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.4 -173.01 23.62 Favored Glycine 0 C--N 1.313 -0.695 0 CA-C-N 113.68 -1.6 . . . . 25.0 115.231 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -102.35 109.45 21.11 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 103.765 -2.679 . . . . 25.0 103.765 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -117.8 157.64 26.22 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.844 1.424 . . . . 50.0 114.844 -168.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -124.93 107.58 11.01 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -120.77 109.8 15.6 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.662 -0.209 . . . . 25.0 110.806 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.1 31.19 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 121.332 -0.855 . . . . 25.0 111.125 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.63 -6.98 1.26 Allowed Glycine 0 N--CA 1.462 0.412 0 N-CA-C 117.044 1.577 . . . . 25.0 117.044 -174.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.28 -125.24 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 125.162 2.534 . . . . 25.0 119.058 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.5 144.84 35.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.832 -3.184 . . . . 25.0 111.695 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.7 162.09 37.94 Favored Glycine 0 C--O 1.244 0.722 0 N-CA-C 115.862 1.105 . . . . 25.0 115.862 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 69.01 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.25 -1.389 . . . . 25.0 107.25 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -68.13 158.92 32.03 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.25 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 m -118.37 96.41 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.774 0.797 . . . . 25.0 108.905 174.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -83.99 138.97 32.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -124.88 136.44 53.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.539 0.685 . . . . 25.0 111.962 -168.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -122.02 98.6 6.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.938 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.7 3.51 39.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 164.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 92.87 8.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.336 -1.302 . . . . 25.0 110.858 -175.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -86.45 -73.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.559 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -69.94 -19.15 63.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.715 1.245 . . . . 25.0 108.065 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -75.41 -10.3 59.33 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 114.232 -1.349 . . . . 25.0 112.233 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.43 37.7 3.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.643 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -102.76 163.81 12.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.469 0.652 . . . . 25.0 112.638 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.57 152.75 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -150.81 159.1 44.76 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 99.45 -4.278 . . . . 25.0 99.45 168.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.43 74.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.875 0.761 . . . . 25.0 109.768 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.57 2.39 48.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.03 84.73 0.07 OUTLIER Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.882 -0.675 . . . . 25.0 114.019 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -102.8 121.86 43.34 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.564 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -126.01 92.31 3.56 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 p -121.81 173.55 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.015 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.96 112.37 19.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.66 105.43 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.44 125.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.05 165.62 11.06 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 21.92 79.28 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.937 2.199 . . . . 25.0 116.937 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.17 39.55 1.45 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.408 -171.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -136.56 69.41 60.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 117.475 2.398 . . . . 25.0 117.475 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.69 20.28 1.21 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 N-CA-C 110.072 -0.78 . . . . 25.0 110.072 163.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.3 p 58.42 5.41 0.44 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.832 1.653 . . . . 25.0 114.742 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.95 26.66 3.29 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.239 0.616 . . . . 25.0 111.241 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.38 154.47 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -111.83 132.41 54.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.866 0.841 . . . . 25.0 112.214 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.85 120.34 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -100.46 118.16 36.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.449 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.57 12.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -69.57 -23.73 63.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.892 -0.505 . . . . 25.0 110.987 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.54 -18.2 63.64 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.6 0.238 . . . . 25.0 111.196 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.82 -14.02 35.33 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.37 -48.8 4.12 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.922 -1.671 . . . . 25.0 108.922 -167.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 t80 68.85 167.57 0.28 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.553 1.541 . . . . 25.0 109.539 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -113.85 -33.51 5.75 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.01 178.97 15.89 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.042 -1.623 . . . . 25.0 109.042 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 tp -122.23 42.81 3.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.073 0.94 . . . . 25.0 111.098 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.45 56.39 4.43 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.299 -0.864 . . . . 25.0 114.189 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 57.5 27.69 14.41 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.73 8.6 84.27 Favored Glycine 0 C--O 1.229 -0.16 0 N-CA-C 117.704 1.842 . . . . 25.0 117.704 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -121.42 167.58 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.1 0.95 . . . . 25.0 110.002 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.1 38.29 29.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.837 0.855 . . . . 25.0 110.097 -175.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.01 -9.25 32.89 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 115.124 0.81 . . . . 25.0 115.124 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 p -76.85 170.9 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.785 0.793 . . . . 25.0 109.824 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.75 170.4 7.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.84 152.81 47.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.62 144.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 t -145.06 147.32 32.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.99 129.58 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -120.46 127.47 52.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -74.01 -26.7 60.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -67.67 -26.32 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.621 0.724 . . . . 25.0 109.996 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.57 -12.25 45.0 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.825 -0.91 . . . . 25.0 110.825 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 52.22 32.75 11.23 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.207 1.003 . . . . 25.0 110.746 -176.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -132.09 154.37 49.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.187 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -125.76 106.27 9.57 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -90.71 144.49 25.69 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 111.622 -2.536 . . . . 25.0 109.148 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.49 125.82 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.81 167.55 29.7 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -115.31 151.27 34.88 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.648 -3.093 . . . . 25.0 102.648 173.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.71 4.98 3.37 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.626 -0.715 . . . . 25.0 112.822 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.21 -34.02 77.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.527 0.68 . . . . 25.0 110.784 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.9 p -138.51 140.62 39.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -114.45 -74.08 0.63 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.81 -1.086 . . . . 25.0 113.358 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.2 13.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.213 1.006 . . . . 25.0 108.967 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.677 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.7 mp0 -68.22 -30.61 69.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.967 -1.47 . . . . 25.0 110.807 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.07 67.97 0.44 Allowed Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 105.521 -3.032 . . . . 25.0 105.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 115.41 5.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.215 1.483 . . . . 25.0 109.722 -173.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.1 p -104.97 -179.54 3.97 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 111.629 -2.532 . . . . 25.0 109.622 -163.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -91.35 153.91 19.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -175.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -145.49 130.77 18.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.588 . . . . 25.0 109.814 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -141.97 166.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.8 149.72 35.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.05 131.14 40.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.08 113.3 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.97 23.5 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 106.754 -2.539 . . . . 25.0 106.754 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.36 31.54 6.42 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 16.09 0.08 Allowed 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -174.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 106.385 -1.709 . . . . 25.0 106.385 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.03 -6.28 55.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.608 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -127.49 42.23 3.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.371 0.605 . . . . 25.0 110.014 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.96 124.84 37.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 86.4 p -165.72 173.03 11.15 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.51 -20.81 66.5 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.044 0.45 . . . . 25.0 110.926 176.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.57 -36.18 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.8 -39.55 14.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.476 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 20.7 mm -114.49 128.75 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -173.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.8 tp -99.9 126.55 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.717 -1.586 . . . . 25.0 106.717 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.14 168.09 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.84 32.21 3.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.256 0.551 . . . . 25.0 111.427 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.587 -0.153 . . . . 25.0 110.587 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.65 -15.22 46.88 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.842 -1.639 . . . . 25.0 114.15 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -41.17 63.96 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.251 -0.277 . . . . 25.0 110.251 174.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.49 138.04 6.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.072 -1.085 . . . . 25.0 108.072 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -110.92 23.48 14.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.17 40.92 31.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.001 -1.0 . . . . 25.0 111.284 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -63.27 126.11 88.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -61.03 145.33 99.21 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 115.03 -2.847 . . . . 25.0 113.583 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mt -82.41 124.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.02 113.37 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 123.117 1.437 . . . . 25.0 107.674 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.14 2.26 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 112.984 -1.917 . . . . 25.0 110.606 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -132.2 174.31 10.35 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.215 -0.579 . . . . 25.0 110.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.65 4.64 46.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.743 0.782 . . . . 25.0 109.279 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.46 172.41 13.83 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 114.853 -1.067 . . . . 25.0 108.256 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.64 100.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.865 -1.531 . . . . 25.0 106.865 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -87.98 120.75 29.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -111.7 95.15 5.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 166.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -136.68 153.9 50.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -127.57 148.62 50.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.924 0.868 . . . . 25.0 112.11 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.27 -40.75 2.73 Favored Glycine 0 CA--C 1.506 -0.514 0 CA-C-N 113.765 -1.561 . . . . 25.0 110.631 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p 46.32 -144.92 0.23 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.121 -1.039 . . . . 25.0 110.53 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.58 -11.26 10.51 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.758 2.133 . . . . 25.0 116.758 -170.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 139.44 58.08 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.63 42.76 2.97 Favored Glycine 0 C--O 1.221 -0.664 0 N-CA-C 109.694 -1.363 . . . . 25.0 109.694 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.18 149.78 33.63 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' CB ' ' H ' ' A' ' 44' ' ' LEU 0.268 3.2 tp10 -140.76 156.45 46.17 Favored 'General case' 0 C--O 1.203 -1.357 0 N-CA-C 115.065 1.506 . . . . 75.0 115.065 -171.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.42 139.58 20.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 124.696 1.198 . . . . 25.0 108.822 -164.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -117.53 146.76 43.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 78.0 0.08 OUTLIER Glycine 0 N--CA 1.462 0.397 0 C-N-CA 119.631 -1.271 . . . . 25.0 114.489 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -31.35 -77.5 0.03 OUTLIER Glycine 0 C--O 1.236 0.24 0 N-CA-C 119.823 2.689 . . . . 25.0 119.823 -169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.54 -177.22 13.06 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-O 122.618 1.121 . . . . 25.0 114.036 -174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.54 165.01 5.46 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.525 1.37 . . . . 25.0 116.525 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.37 81.62 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.2 151.9 36.77 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.413 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -129.04 103.99 7.31 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -126.65 120.84 30.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.3 136.12 49.98 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 105.99 -1.855 . . . . 25.0 105.99 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.69 -8.04 4.03 Favored Glycine 0 C--O 1.212 -1.229 0 N-CA-C 115.356 0.902 . . . . 25.0 115.356 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 18.13 -97.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 119.253 3.057 . . . . 25.0 119.253 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 167.77 54.83 Favored Glycine 0 N--CA 1.465 0.629 0 O-C-N 120.822 -1.174 . . . . 25.0 115.586 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.72 165.56 22.34 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-O 121.797 0.665 . . . . 25.0 112.702 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.48 136.07 17.73 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 106.492 -2.643 . . . . 25.0 106.492 171.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -127.71 152.89 47.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.513 1.157 . . . . 50.0 109.06 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 95.9 mt -136.87 97.96 3.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -122.56 132.73 54.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -167.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 116.85 25.03 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.751 -1.113 . . . . 25.0 108.486 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.45 -22.43 54.01 Favored Glycine 0 N--CA 1.463 0.482 0 N-CA-C 116.782 1.473 . . . . 25.0 116.782 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.47 -159.35 38.1 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.42 2.678 . . . . 25.0 114.302 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.17 151.84 21.85 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 109.337 -3.431 . . . . 25.0 112.419 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.49 -174.68 35.21 Favored Glycine 0 C--N 1.312 -0.756 0 CA-C-N 113.428 -1.715 . . . . 25.0 113.107 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -104.88 107.79 18.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -110.12 156.67 20.28 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.203 -1.362 . . . . 50.0 113.999 -167.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -119.62 108.59 14.65 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.0 mt -120.68 108.7 14.33 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.037 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.47 140.41 37.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.283 -0.886 . . . . 25.0 109.549 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.35 -21.58 2.01 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 115.891 1.116 . . . . 25.0 115.891 -175.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.25 -130.39 41.15 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-O 126.116 3.065 . . . . 25.0 116.635 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -63.27 151.14 41.42 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 108.774 -3.713 . . . . 25.0 110.554 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 161.6 37.44 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 115.513 0.965 . . . . 25.0 115.513 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.58 68.68 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.935 -1.506 . . . . 25.0 106.935 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -68.61 154.19 42.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.645 -1.616 . . . . 50.0 109.229 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.0 m -114.97 101.66 9.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -97.73 124.09 41.93 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.534 -3.136 . . . . 25.0 102.534 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -127.94 149.94 50.11 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.701 0.762 . . . . 25.0 112.044 -165.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -121.57 103.13 8.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.567 -1.197 . . . . 25.0 112.795 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.46 2.15 36.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.272 -2.492 . . . . 25.0 104.272 160.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -90.58 91.11 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.119 -1.4 . . . . 25.0 110.816 -175.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -86.76 -72.04 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' HG3' HH21 ' A' ' 134' ' ' ARG . 14.7 mp0 -71.29 -17.09 62.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -73.8 -8.25 55.33 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 114.3 -1.318 . . . . 25.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -131.98 38.31 3.53 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.707 -0.679 . . . . 25.0 110.566 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 16.7 pt20 -102.6 163.63 12.11 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -135.98 156.71 48.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -178.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.7 p -150.96 167.72 26.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.268 -1.753 . . . . 25.0 106.268 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.78 -26.15 67.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.68 53.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 25.0 112.48 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.99 154.81 6.31 Favored Glycine 0 C--N 1.316 -0.575 0 CA-C-N 115.287 -0.869 . . . . 25.0 113.393 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 7.4 p -118.72 143.17 47.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.45 -0.441 . . . . 25.0 109.996 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -125.95 91.99 3.5 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 103.955 -2.609 . . . . 25.0 103.955 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 p -122.83 -179.59 4.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.353 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.23 109.66 15.66 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.32 104.27 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -90.27 125.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.67 165.99 10.93 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 22.32 80.16 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 117.183 2.29 . . . . 25.0 117.183 -175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.39 42.31 1.63 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 114.984 1.475 . . . . 25.0 114.984 -171.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -141.2 71.07 27.77 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 118.207 2.669 . . . . 25.0 118.207 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.62 21.26 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 N-CA-C 110.376 -0.663 . . . . 25.0 110.376 163.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.8 p 58.97 4.18 0.39 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.849 1.66 . . . . 25.0 114.974 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -136.59 29.81 2.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.335 0.654 . . . . 25.0 110.739 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.81 156.36 20.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.848 -1.538 . . . . 50.0 106.848 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -111.03 132.55 54.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.328 1.061 . . . . 25.0 112.064 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.35 122.89 27.15 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.758 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.75 15.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -65.22 -30.77 71.68 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.081 -0.387 . . . . 25.0 111.944 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.47 -14.01 61.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.13 -13.71 37.86 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.02 -51.11 4.25 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 109.339 -1.504 . . . . 25.0 109.339 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 21.4 t80 72.24 125.53 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.702 1.601 . . . . 25.0 110.149 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.0 p -78.55 -24.82 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.72 178.22 15.63 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 110.228 -1.149 . . . . 25.0 110.228 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.72 34.84 4.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.025 0.917 . . . . 25.0 110.162 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.58 57.34 4.48 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.363 -0.835 . . . . 25.0 114.487 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 56.67 26.9 11.81 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.163 1.542 . . . . 25.0 115.163 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 6.36 86.48 Favored Glycine 0 C--O 1.229 -0.179 0 N-CA-C 117.342 1.697 . . . . 25.0 117.342 171.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -117.46 167.53 11.2 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.184 0.992 . . . . 25.0 109.889 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.16 37.86 28.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.894 0.878 . . . . 25.0 110.287 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.17 -8.6 30.71 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 115.438 0.935 . . . . 25.0 115.438 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 p -77.06 172.8 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.583 0.691 . . . . 25.0 109.939 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.15 168.68 8.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.95 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.13 140.51 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -146.21 153.02 40.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.67 132.89 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.324 -1.361 . . . . 25.0 107.324 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.02 122.23 39.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.94 -27.05 49.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 25.0 111.278 -175.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.04 -26.57 65.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.388 0.613 . . . . 25.0 109.583 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.75 -10.01 51.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.758 -0.937 . . . . 25.0 110.758 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.71 32.12 11.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.107 0.963 . . . . 25.0 111.165 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.63 153.32 50.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.83 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -122.89 106.34 10.79 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 104.196 -2.52 . . . . 25.0 104.196 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.39 141.04 29.14 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 111.51 -2.586 . . . . 25.0 108.845 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.77 121.43 30.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -157.95 170.43 22.35 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.8 t -119.69 155.7 31.9 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 103.489 -2.782 . . . . 25.0 103.489 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -141.13 2.51 1.71 Allowed 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.01 -33.92 76.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.512 0.672 . . . . 25.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.7 p -135.21 137.07 42.28 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -130.19 -73.09 0.56 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.994 -1.457 . . . . 25.0 109.799 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.82 -28.84 50.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 21.4 mp0 -78.78 -22.21 46.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.319 -1.309 . . . . 25.0 111.449 -175.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.2 84.47 0.07 OUTLIER Glycine 0 C--O 1.22 -0.769 0 N-CA-C 106.642 -2.583 . . . . 25.0 106.642 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.488 HH21 ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.23 127.93 33.6 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.848 1.308 . . . . 25.0 109.614 -172.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.34 165.96 12.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 112.438 -2.165 . . . . 25.0 110.251 -164.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 50.2 m-85 -90.87 154.51 19.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.856 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.81 130.5 16.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.005 0.522 . . . . 25.0 110.793 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.29 163.79 30.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.2 144.64 31.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tt -135.0 129.85 34.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -79.5 111.21 15.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.41 177.07 22.39 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 107.152 -2.379 . . . . 25.0 107.152 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.73 26.31 9.43 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 13.21 0.09 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -175.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.72 -28.43 61.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.08 60.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.38 36.8 3.78 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 118.07 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 99.2 p -160.16 164.22 33.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.71 68.54 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.223 0.535 . . . . 25.0 110.842 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.58 -33.09 68.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.953 -0.467 . . . . 25.0 110.21 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.68 -41.65 44.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.8 mt -129.1 121.3 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.878 -0.514 . . . . 25.0 112.147 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.9 tp -93.58 134.02 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -141.14 171.02 14.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.12 31.31 2.68 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.319 0.58 . . . . 25.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.62 150.61 88.97 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.34 -3.08 12.26 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 114.478 0.914 . . . . 25.0 114.478 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 8.2 p -128.82 136.38 29.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.0 153.54 72.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 115.868 -2.288 . . . . 25.0 112.352 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.711 -1.614 . . . . 25.0 107.859 -178.781 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.57 -14.22 41.49 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 116.519 -1.854 . . . . 25.0 113.982 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -49.28 27.29 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.48 -0.193 . . . . 25.0 110.48 175.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.45 151.82 13.69 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.88 26.92 4.3 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.62 23.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 25.0 112.785 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -64.37 129.76 94.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.831 -0.804 . . . . 25.0 108.831 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.09 139.62 61.86 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 115.137 -2.775 . . . . 25.0 112.885 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.07 130.75 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 105.484 -2.043 . . . . 25.0 105.484 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.25 109.89 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 122.874 1.321 . . . . 25.0 108.324 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.08 -136.76 2.78 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 113.32 -1.764 . . . . 25.0 109.969 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.5 t -132.3 170.23 15.35 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.267 -0.549 . . . . 25.0 110.746 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.82 4.38 44.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.507 0.67 . . . . 25.0 109.331 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 tp -81.85 175.47 10.39 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.72 110.81 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 173.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -95.96 123.66 39.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -116.35 94.99 4.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 165.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.9 mt -136.45 154.03 50.89 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 -173.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.91 148.91 52.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.804 0.811 . . . . 25.0 112.645 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -99.95 -39.74 3.26 Favored Glycine 0 CA--C 1.492 -1.354 0 CA-C-N 114.175 -1.375 . . . . 25.0 112.017 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 p 44.9 -142.58 0.22 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 113.591 -1.305 . . . . 25.0 110.694 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -14.52 35.84 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 116.787 2.143 . . . . 25.0 116.787 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.33 140.31 58.02 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.75 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.91 51.73 4.6 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 108.919 -1.672 . . . . 25.0 108.919 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -151.86 144.82 24.47 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 103.933 -2.618 . . . . 25.0 103.933 -175.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -141.05 -179.56 6.16 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 112.516 0.562 . . . . 75.0 112.516 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.2 mp -113.35 141.42 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -114.21 149.72 35.36 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.14 74.92 0.05 OUTLIER Glycine 0 N--CA 1.465 0.631 0 C-N-CA 119.901 -1.142 . . . . 25.0 113.613 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.05 -74.88 0.06 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.226 2.851 . . . . 25.0 120.226 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.24 -175.93 10.26 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-O 122.56 1.089 . . . . 25.0 114.908 -173.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 169.29 8.75 Favored Glycine 0 C--N 1.313 -0.746 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.91 82.23 4.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.48 149.47 35.02 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -171.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.28 104.45 7.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.76 120.29 28.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 -171.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -112.16 136.04 52.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.51 -5.84 3.55 Favored Glycine 0 C--O 1.21 -1.396 0 N-CA-C 116.577 1.391 . . . . 25.0 116.577 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 18.42 -96.4 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 118.157 2.651 . . . . 25.0 118.157 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.78 166.54 53.19 Favored Glycine 0 C--O 1.257 1.535 0 CA-C-O 122.725 1.181 . . . . 25.0 115.242 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.46 166.76 35.21 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.22 -0.99 . . . . 25.0 111.073 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.11 130.86 10.45 Favored Glycine 0 C--N 1.316 -0.552 0 N-CA-C 106.918 -2.473 . . . . 25.0 106.918 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -124.34 157.33 35.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.945 0.373 . . . . 50.0 111.464 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.88 98.55 3.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.15 143.01 50.74 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.66 161.41 39.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.85 34.24 1.24 Allowed Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.208 -0.996 . . . . 25.0 114.01 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 17.44 -126.04 0.01 OUTLIER Glycine 0 CA--C 1.509 -0.313 0 N-CA-C 119.816 2.686 . . . . 25.0 119.816 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 146.25 55.18 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.743 -1.729 . . . . 25.0 113.329 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 -171.94 22.88 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-N 113.559 -1.655 . . . . 25.0 116.806 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -99.89 111.55 23.86 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 102.127 -3.286 . . . . 25.0 102.127 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -121.37 158.78 27.52 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.974 -1.012 . . . . 50.0 113.381 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -123.31 106.05 10.37 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.3 mt -120.56 106.79 12.12 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 110.506 -0.183 . . . . 25.0 110.506 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.7 142.43 34.36 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.407 -0.808 . . . . 25.0 110.283 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.17 -21.93 1.61 Allowed Glycine 0 C--O 1.224 -0.497 0 N-CA-C 115.744 1.058 . . . . 25.0 115.744 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.87 -131.9 50.05 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-O 126.206 3.115 . . . . 25.0 116.588 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.3 147.22 48.83 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 108.46 -3.87 . . . . 25.0 110.28 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 164.4 40.12 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 115.865 1.106 . . . . 25.0 115.865 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.32 67.44 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.779 1.232 . . . . 25.0 107.859 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -68.31 153.29 44.04 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.934 -1.485 . . . . 50.0 109.38 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.1 m -112.03 111.28 22.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.504 0.668 . . . . 25.0 109.279 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -103.98 127.96 51.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.933 -2.247 . . . . 25.0 104.933 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -114.46 138.23 50.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.373 0.606 . . . . 25.0 112.041 -169.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.59 102.29 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.833 . . . . 25.0 112.447 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.47 4.82 30.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 164.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.33 85.01 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.039 -1.437 . . . . 25.0 112.059 -171.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -84.39 -68.4 0.72 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.902 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -68.7 -23.01 64.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.565 1.174 . . . . 25.0 108.815 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.19 -6.33 47.13 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.269 -1.332 . . . . 25.0 111.458 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -141.18 48.52 1.67 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 23.2 pt20 -102.79 160.76 14.31 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.46 151.87 50.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.338 -0.846 . . . . 25.0 113.266 -176.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.88 169.34 21.96 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.132 -1.803 . . . . 25.0 106.132 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.32 -25.53 66.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.13 -4.8 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 25.0 112.072 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.4 151.09 5.34 Favored Glycine 0 C--N 1.317 -0.482 0 CA-C-N 115.137 -0.938 . . . . 25.0 113.956 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.8 t -118.45 136.8 53.58 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -125.41 92.27 3.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -128.27 164.84 21.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.75 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.67 118.11 30.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 50.0 109.67 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.81 105.09 17.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -81.87 124.45 39.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.2 mt -100.99 165.99 11.04 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 22.41 80.22 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -140.79 43.18 1.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 38.8 t0 -139.59 69.86 38.21 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -87.22 20.95 1.12 Allowed 'Trans proline' 0 CA--C 1.541 0.859 0 N-CA-C 110.221 -0.723 . . . . 25.0 110.221 163.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 58.99 4.2 0.39 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.788 1.635 . . . . 25.0 115.044 -171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -138.62 34.0 2.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.388 0.675 . . . . 25.0 110.698 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.59 19.97 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.575 -1.268 . . . . 50.0 107.575 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 127.26 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.233 1.016 . . . . 25.0 112.988 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.2 tp -121.85 128.32 51.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -112.99 114.36 26.79 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.444 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.11 14.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -68.02 -25.74 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.953 -0.467 . . . . 25.0 110.535 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.58 -9.07 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.11 -12.43 41.15 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.596 -1.261 . . . . 25.0 107.596 170.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.68 -51.69 4.5 Favored Glycine 0 C--O 1.228 -0.241 0 N-CA-C 108.808 -1.717 . . . . 25.0 108.808 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.9 t80 71.32 157.36 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.349 1.459 . . . . 25.0 109.071 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.1 p -119.65 -16.64 8.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 -172.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 176.05 14.25 Favored Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 108.146 -1.982 . . . . 25.0 108.146 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.59 29.64 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.074 0.937 . . . . 25.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.45 60.44 2.82 Favored Glycine 0 C--O 1.225 -0.423 0 N-CA-C 115.574 0.99 . . . . 25.0 115.574 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.02 27.11 14.35 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.0 84.72 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 168.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.97 168.22 12.6 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.831 0.816 . . . . 25.0 109.514 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.58 38.27 27.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.845 0.858 . . . . 25.0 109.719 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.0 16.37 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 115.284 0.874 . . . . 25.0 115.284 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -72.0 172.5 9.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.74 0.77 . . . . 25.0 110.626 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.05 169.44 8.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.02 152.92 39.26 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.513 -2.032 . . . . 25.0 105.513 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.02 140.12 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -148.33 148.88 30.89 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.94 128.8 63.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -121.05 125.9 48.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.34 -22.82 57.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -66.84 -26.87 67.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 109.939 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.42 -9.79 37.66 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.98 34.81 14.51 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.259 1.028 . . . . 25.0 110.435 -175.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -130.24 153.7 48.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.01 -0.996 . . . . 25.0 112.519 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -126.15 108.54 11.42 Favored 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 103.576 -2.749 . . . . 25.0 103.576 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -93.33 143.86 25.87 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 111.62 -2.536 . . . . 25.0 109.215 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -127.81 121.12 29.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.01 165.06 36.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 -177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 t -115.26 151.12 35.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 103.314 -2.847 . . . . 25.0 103.314 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.66 2.05 3.42 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.68 -33.35 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.437 0.637 . . . . 25.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.3 p -132.06 132.48 43.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -126.13 -75.51 0.59 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.06 -1.427 . . . . 25.0 110.17 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.02 55.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.9 mp0 -76.83 -22.27 53.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.213 -1.358 . . . . 25.0 110.958 -176.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.2 79.24 0.08 OUTLIER Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.479 -1.448 . . . . 25.0 109.479 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 120.38 11.79 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 122.528 1.156 . . . . 25.0 109.602 -175.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.31 165.91 11.97 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.203 -1.817 . . . . 25.0 109.91 -167.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 51.6 p90 -90.3 152.99 20.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -146.75 140.99 26.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.98 161.84 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.8 t -138.39 143.51 39.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.03 126.8 29.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -78.45 112.3 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 150.24 174.85 21.81 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 106.97 -2.452 . . . . 25.0 106.97 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -118.17 30.12 7.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 17.78 0.06 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.38 65.07 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.864 -1.902 . . . . 25.0 105.864 169.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.05 59.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.36 -0.836 . . . . 25.0 109.477 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.86 3.4 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.986 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.2 116.64 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -158.42 165.65 34.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.56 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.269 0.557 . . . . 25.0 110.724 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.88 -33.52 70.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.005 -0.434 . . . . 25.0 110.023 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.61 -41.09 47.36 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.39 124.62 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.613 -0.679 . . . . 25.0 112.504 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.4 tp -95.97 132.38 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -146.15 168.13 21.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.41 29.82 2.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.562 0.696 . . . . 25.0 110.251 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.54 145.6 85.08 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.686 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -74.0 -6.19 18.16 Favored 'Trans proline' 0 C--N 1.352 0.762 0 N-CA-C 114.508 0.926 . . . . 25.0 114.508 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 14.7 p -128.47 142.42 44.7 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 103.835 -2.654 . . . . 25.0 103.835 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.15 174.86 7.38 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 115.748 -2.368 . . . . 25.0 114.997 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.932 -1.509 . . . . 25.0 107.402 177.506 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.83 -14.81 42.59 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 116.109 -2.127 . . . . 25.0 113.974 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -48.76 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.557 0.218 . . . . 25.0 110.656 175.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.31 155.11 19.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.85 29.67 5.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.94 40.95 30.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.683 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -71.37 120.99 82.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.05 146.76 96.06 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 114.843 -2.971 . . . . 25.0 114.856 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -81.99 132.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.62 114.6 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-O 123.214 1.483 . . . . 25.0 108.084 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -136.43 2.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 112.653 -2.067 . . . . 25.0 110.554 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -127.0 168.13 14.97 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.275 -0.544 . . . . 25.0 110.694 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.47 2.75 49.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.464 0.65 . . . . 25.0 109.556 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.13 174.66 11.38 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -67.78 111.21 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.64 126.04 39.68 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.148 -1.056 . . . . 50.0 108.148 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.24 95.05 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 164.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.91 153.88 50.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -173.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -128.62 149.38 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.891 0.853 . . . . 25.0 112.119 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -104.88 -39.56 2.31 Favored Glycine 0 CA--C 1.496 -1.14 0 CA-C-N 113.975 -1.466 . . . . 25.0 111.583 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.2 p 45.94 -144.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.686 -1.257 . . . . 25.0 111.212 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.56 -10.17 7.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.795 2.146 . . . . 25.0 116.795 -170.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 137.98 58.02 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 174.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.64 44.54 3.37 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.143 -1.183 . . . . 25.0 110.143 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -150.53 157.19 42.71 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 104.193 -2.521 . . . . 25.0 104.193 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -140.81 -179.62 6.16 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 123.148 0.28 . . . . 50.0 111.557 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -117.61 138.96 46.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 122.977 0.511 . . . . 25.0 111.078 -167.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.4 t -114.15 148.64 36.89 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.8 72.98 0.1 OUTLIER Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.102 -1.047 . . . . 25.0 112.259 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.05 0.04 OUTLIER Glycine 0 C--O 1.238 0.352 0 N-CA-C 119.514 2.566 . . . . 25.0 119.514 -168.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.5 -177.06 12.51 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-O 122.814 1.23 . . . . 25.0 113.939 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 165.23 5.05 Favored Glycine 0 C--N 1.309 -0.93 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.19 81.74 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -79.18 152.16 30.86 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -128.68 104.12 7.47 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 104.948 -2.242 . . . . 25.0 104.948 171.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.4 mt -125.65 119.82 29.07 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -109.98 136.81 48.66 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -6.15 2.85 Favored Glycine 0 C--O 1.208 -1.485 0 N-CA-C 115.448 0.939 . . . . 25.0 115.448 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 18.88 -96.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 118.263 2.69 . . . . 25.0 118.263 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.13 166.46 54.39 Favored Glycine 0 C--O 1.254 1.395 0 CA-C-O 122.531 1.073 . . . . 25.0 115.626 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.86 167.26 34.78 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.687 -0.965 . . . . 25.0 110.687 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.43 133.94 13.96 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 106.934 -2.466 . . . . 25.0 106.934 171.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.76 155.11 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.24 0.52 . . . . 50.0 111.051 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.78 99.73 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.68 134.29 53.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.81 116.74 20.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.341 -1.725 . . . . 25.0 106.341 172.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.65 -17.69 65.45 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 116.435 1.334 . . . . 25.0 116.435 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.44 -156.87 41.77 Favored Glycine 0 N--CA 1.425 -2.054 0 CA-C-O 125.446 2.692 . . . . 25.0 113.358 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 148.1 34.35 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.368 -3.416 . . . . 25.0 112.202 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -173.31 30.28 Favored Glycine 0 C--N 1.313 -0.718 0 CA-C-N 113.458 -1.701 . . . . 25.0 115.217 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -98.33 105.73 17.91 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.6 151.9 29.53 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.63 108.74 15.81 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 106.768 -1.567 . . . . 25.0 106.768 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -119.89 104.52 10.25 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 119.698 -0.191 . . . . 25.0 111.376 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.43 141.07 35.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.314 -0.866 . . . . 25.0 110.419 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -7.6 2.3 Favored Glycine 0 N--CA 1.462 0.418 0 N-CA-C 117.313 1.685 . . . . 25.0 117.313 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.15 -126.95 2.07 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-O 125.418 2.676 . . . . 25.0 118.514 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.2 144.7 49.47 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 109.492 -3.354 . . . . 25.0 111.523 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.31 161.35 36.56 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.44 0.936 . . . . 25.0 115.44 174.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.67 66.54 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -67.75 153.87 42.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.114 -1.403 . . . . 50.0 109.507 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.9 m -112.47 104.86 12.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -98.47 122.91 42.25 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.677 -3.083 . . . . 25.0 102.677 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -123.18 143.99 49.65 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.844 0.831 . . . . 25.0 111.975 -166.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.83 99.27 6.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.576 -1.193 . . . . 25.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.13 3.19 43.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 95.29 9.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.276 -1.329 . . . . 25.0 110.534 -175.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.79 -72.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.064 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -70.52 -19.08 62.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.891 1.329 . . . . 25.0 107.879 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -74.74 -10.32 59.4 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 113.822 -1.536 . . . . 25.0 111.922 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -130.75 36.56 3.89 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.632 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -102.05 164.8 11.51 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.57 155.0 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.87 168.21 25.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.713 -1.958 . . . . 25.0 105.713 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.51 66.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.62 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.57 0.7 . . . . 25.0 112.123 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.65 152.0 5.54 Favored Glycine 0 C--N 1.316 -0.571 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.468 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.7 p -118.79 143.03 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -125.89 92.46 3.6 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 103.75 -2.685 . . . . 25.0 103.75 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 p -125.36 177.9 5.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.347 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.68 111.84 17.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.84 105.27 17.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.62 121.32 37.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.6 mt -101.53 159.81 14.97 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.397 -0.223 . . . . 25.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.32 79.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 123.079 1.419 . . . . 25.0 114.423 -177.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.38 41.33 0.88 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 -169.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -140.78 72.23 29.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 117.749 2.5 . . . . 25.0 117.749 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.68 22.09 0.95 Allowed 'Trans proline' 0 CA--C 1.541 0.835 0 N-CA-C 110.22 -0.723 . . . . 25.0 110.22 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p 59.94 5.09 0.68 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.915 1.686 . . . . 25.0 114.549 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -144.63 53.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 155.9 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.465 -2.05 . . . . 50.0 105.465 173.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.04 128.58 55.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.326 1.06 . . . . 25.0 113.288 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.7 tp -119.06 131.79 55.98 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -120.31 119.13 32.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.283 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.26 14.25 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.9 -24.89 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.136 -0.353 . . . . 25.0 111.853 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.81 -16.1 62.16 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.548 0.203 . . . . 25.0 111.548 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.2 mt -93.18 -9.2 40.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.87 -49.74 4.18 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 114.459 -1.246 . . . . 25.0 110.178 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 68.42 169.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.965 1.306 . . . . 25.0 109.739 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.0 p -124.88 -51.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.92 178.91 38.59 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 107.927 -2.069 . . . . 25.0 107.927 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.54 24.75 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.092 0.946 . . . . 25.0 109.006 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.25 64.14 2.08 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 61.56 22.76 13.16 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.38 10.5 82.01 Favored Glycine 0 C--N 1.323 -0.141 0 N-CA-C 118.061 1.984 . . . . 25.0 118.061 166.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -123.5 168.09 13.03 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.853 0.827 . . . . 25.0 109.821 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 38.28 29.29 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.808 0.843 . . . . 25.0 109.948 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.78 -8.12 45.33 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 p -77.46 171.82 14.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.078 0.939 . . . . 25.0 110.199 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.65 171.74 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.62 152.79 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.759 -1.941 . . . . 25.0 105.759 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -114.32 142.69 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -143.67 148.51 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.82 -1.918 . . . . 25.0 105.82 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.77 131.8 62.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.15 39.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -77.43 -29.08 52.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 25.0 110.96 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.06 -26.79 66.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.416 0.627 . . . . 25.0 109.798 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.72 -9.13 53.41 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.8 33.45 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.12 0.962 . . . . 25.0 111.527 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -132.1 155.54 47.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.677 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.2 t -127.91 108.6 10.83 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 103.737 -2.69 . . . . 25.0 103.737 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.59 142.66 27.09 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 111.848 -2.433 . . . . 25.0 109.168 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -130.28 125.9 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -158.0 165.34 35.35 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.4 t -115.38 151.28 34.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.227 -3.249 . . . . 25.0 102.227 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.78 5.71 2.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 113.742 1.015 . . . . 25.0 113.742 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -65.3 -32.84 74.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.607 0.718 . . . . 25.0 111.107 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.1 p -134.86 138.69 44.41 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -125.4 -73.65 0.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.715 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -81.83 -29.02 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 17.2 mp0 -77.2 -23.78 51.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.849 -175.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.15 79.46 0.1 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.766 -2.134 . . . . 25.0 107.766 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 115.9 5.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 122.841 1.305 . . . . 25.0 109.617 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.34 166.1 11.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 111.757 -2.474 . . . . 25.0 110.727 -162.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -76.31 152.37 36.43 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.01 130.15 18.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.5 164.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.76 147.41 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -134.03 132.33 39.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -80.7 113.81 19.15 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.6 179.54 21.94 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 106.839 -2.504 . . . . 25.0 106.839 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.56 32.3 6.15 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 17.11 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.42 65.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.05 -1.833 . . . . 25.0 106.05 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.28 -11.06 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.459 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.23 41.71 3.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.053 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.6 113.48 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -156.96 166.51 33.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.15 70.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.173 0.511 . . . . 25.0 110.743 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.22 -33.11 71.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.159 -0.338 . . . . 25.0 110.212 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.51 -41.22 40.08 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.1 mt -128.5 122.32 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.817 -0.552 . . . . 25.0 112.346 -175.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.3 tp -94.98 131.94 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.428 -0.952 . . . . 25.0 108.428 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.95 168.17 20.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.94 30.69 3.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.424 0.63 . . . . 25.0 111.439 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.78 147.25 61.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 107.27 -1.382 . . . . 25.0 107.27 177.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.88 1.67 7.42 Favored 'Trans proline' 0 C--N 1.351 0.699 0 N-CA-C 114.832 1.051 . . . . 25.0 114.832 -178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.6 143.24 47.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.3 155.91 66.05 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 114.6 -3.133 . . . . 25.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.221 -178.056 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 110.451 -0.203 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.23 -13.32 37.57 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 116.613 -1.791 . . . . 25.0 114.105 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -53.92 9.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.727 -0.471 . . . . 25.0 109.727 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.72 157.7 24.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -128.87 25.06 5.64 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.76 -0.829 . . . . 25.0 108.76 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.91 33.97 23.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.962 0.905 . . . . 25.0 111.597 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -63.79 126.51 90.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -62.96 144.75 93.73 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 114.423 -3.252 . . . . 25.0 113.729 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.15 129.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.01 114.23 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-O 123.099 1.428 . . . . 25.0 108.214 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.29 -137.71 2.24 Favored Glycine 0 C--N 1.314 -0.651 0 CA-C-N 112.834 -1.985 . . . . 25.0 110.739 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -122.0 170.27 9.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.146 0.498 . . . . 25.0 111.021 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -87.44 2.63 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.551 0.691 . . . . 25.0 109.367 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.21 175.59 10.17 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.47 111.61 4.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.919 -1.512 . . . . 25.0 106.919 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -95.93 126.81 41.44 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.06 95.19 4.88 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.45 154.01 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -173.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -128.64 148.14 50.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.907 0.861 . . . . 25.0 112.273 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.11 -41.71 1.76 Allowed Glycine 0 CA--C 1.497 -1.068 0 CA-C-N 113.835 -1.53 . . . . 25.0 111.1 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.2 p 44.82 -143.64 0.18 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.888 -1.156 . . . . 25.0 111.036 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.18 -9.82 5.48 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.811 2.152 . . . . 25.0 116.811 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 137.9 58.12 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 46.21 3.64 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 110.379 -1.088 . . . . 25.0 110.379 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.0 159.19 44.73 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 104.068 -2.568 . . . . 25.0 104.068 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.5 tp10 -140.8 -179.48 6.08 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.145 0.424 . . . . 50.0 112.145 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.493 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.4 mp -121.59 140.13 46.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 123.045 0.538 . . . . 25.0 110.672 -168.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -118.61 159.24 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.51 79.07 0.06 OUTLIER Glycine 0 N--CA 1.462 0.433 0 C-N-CA 120.029 -1.081 . . . . 25.0 112.55 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.52 -80.82 0.01 OUTLIER Glycine 0 C--O 1.239 0.466 0 N-CA-C 119.083 2.393 . . . . 25.0 119.083 -167.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.28 -175.84 10.23 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-O 122.895 1.275 . . . . 25.0 113.442 -175.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.71 164.8 5.54 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 116.54 1.376 . . . . 25.0 116.54 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.3 81.97 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.64 152.47 29.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -170.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -128.04 103.98 7.53 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.39 118.1 25.94 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 105.306 -2.109 . . . . 25.0 105.306 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -106.16 136.04 46.56 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.739 -1.948 . . . . 25.0 105.739 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.81 -10.97 1.31 Allowed Glycine 0 C--O 1.21 -1.394 0 C-N-CA 120.221 -0.99 . . . . 25.0 115.369 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 18.78 -95.67 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.543 2.794 . . . . 25.0 118.543 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.75 54.92 Favored Glycine 0 C--O 1.251 1.215 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.49 167.23 33.87 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 110.936 -0.866 . . . . 25.0 110.936 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.83 131.85 11.39 Favored Glycine 0 C--N 1.315 -0.606 0 N-CA-C 107.045 -2.422 . . . . 25.0 107.045 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -127.68 154.58 45.13 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.151 0.476 . . . . 50.0 110.994 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.6 mt -139.28 101.47 4.26 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.43 131.44 53.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -170.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.69 114.14 18.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 171.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.5 -16.77 77.26 Favored Glycine 0 C--O 1.238 0.385 0 N-CA-C 116.214 1.246 . . . . 25.0 116.214 -174.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 70.67 -171.88 43.7 Favored Glycine 0 N--CA 1.422 -2.266 0 CA-C-O 124.437 2.132 . . . . 25.0 111.796 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.1 19.72 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 110.914 -2.643 . . . . 25.0 111.894 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -174.8 21.72 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 113.507 -1.679 . . . . 25.0 115.713 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 80' ' ' SER . 15.2 tpp85 -98.89 106.68 18.97 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 103.631 -2.729 . . . . 25.0 103.631 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.32 155.49 29.46 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -118.29 109.31 16.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.46 102.21 8.3 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -171.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.79 145.52 25.76 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.171 -0.956 . . . . 25.0 111.325 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.58 0.34 1.23 Allowed Glycine 0 N--CA 1.462 0.404 0 N-CA-C 117.719 1.848 . . . . 25.0 117.719 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 26.43 -123.66 0.05 OUTLIER Glycine 0 CA--C 1.507 -0.44 0 N-CA-C 120.253 2.861 . . . . 25.0 120.253 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -57.22 144.0 37.02 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 110.63 -2.785 . . . . 25.0 111.7 -176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.82 34.6 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 115.304 0.882 . . . . 25.0 115.304 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.64 66.31 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -68.7 155.28 40.38 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.286 -1.325 . . . . 50.0 109.227 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -114.2 96.34 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.65 0.738 . . . . 25.0 109.121 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -87.77 130.49 34.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 102.506 -3.146 . . . . 25.0 102.506 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -129.92 144.5 51.35 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.943 0.878 . . . . 25.0 113.149 -165.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.18 104.77 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.282 -1.327 . . . . 25.0 113.557 -170.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.47 13.5 34.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 102.663 -3.088 . . . . 25.0 102.663 160.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.7 mt -87.82 69.09 9.5 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 113.364 -1.744 . . . . 25.0 113.435 -168.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -76.27 -68.07 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.812 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -70.47 -24.42 62.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.202 1.001 . . . . 25.0 109.167 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.38 -9.57 58.68 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 114.922 -1.035 . . . . 25.0 111.715 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -140.71 48.2 1.73 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.819 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 24.9 pt20 -102.46 161.53 13.64 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -173.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 155.02 51.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -150.44 168.29 24.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.41 66.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -5.65 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 25.0 112.069 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.52 150.54 5.22 Favored Glycine 0 C--N 1.316 -0.569 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.612 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -118.35 141.31 48.66 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -125.57 92.57 3.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.658 -2.349 . . . . 25.0 104.658 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.411 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 11.1 p -127.72 161.58 28.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.126 0.488 . . . . 25.0 111.991 -170.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -95.7 115.64 27.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.655 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.2 105.72 17.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -83.36 124.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.47 159.48 15.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.302 -0.258 . . . . 25.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.19 80.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.996 1.379 . . . . 25.0 114.625 -177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.74 40.11 0.81 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 -170.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -141.13 71.95 27.55 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 117.756 2.502 . . . . 25.0 117.756 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.19 22.08 0.97 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 N-CA-C 110.306 -0.69 . . . . 25.0 110.306 164.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.2 5.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.728 1.611 . . . . 25.0 114.588 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -137.29 29.2 2.74 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.274 0.63 . . . . 25.0 110.662 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 156.76 19.31 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.262 -1.384 . . . . 50.0 107.262 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.4 130.16 55.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.231 1.015 . . . . 25.0 112.537 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -121.43 129.74 53.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.27 119.02 35.58 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -126.91 16.13 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -67.94 -26.36 65.92 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.959 -0.463 . . . . 25.0 111.023 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.79 -8.5 58.09 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.0 mt -89.5 -13.44 37.46 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.78 4.47 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 109.22 -1.552 . . . . 25.0 109.22 -172.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.8 t80 69.58 159.36 0.18 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.222 1.409 . . . . 25.0 109.351 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.5 p -119.64 -18.83 8.28 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.68 -177.54 17.23 Favored Glycine 0 CA--C 1.506 -0.517 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 tp -119.65 129.2 54.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.059 -1.46 . . . . 25.0 107.059 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.86 44.03 0.21 Allowed Glycine 0 C--O 1.222 -0.612 0 N-CA-C 110.839 -0.905 . . . . 25.0 110.839 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 58.33 27.19 14.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.175 1.176 . . . . 25.0 114.175 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.59 80.15 Favored Glycine 0 CA--C 1.512 -0.11 0 N-CA-C 117.257 1.663 . . . . 25.0 117.257 169.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -126.8 170.25 12.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.879 0.84 . . . . 25.0 109.701 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.79 37.77 27.16 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.834 0.854 . . . . 25.0 109.489 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.26 -22.8 3.56 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 115.468 0.947 . . . . 25.0 115.468 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.0 p -68.71 173.71 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.461 0.63 . . . . 25.0 111.883 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 169.77 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.741 0.782 . . . . 25.0 110.261 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.45 152.99 38.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.61 144.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.8 p -144.97 158.06 43.93 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.1 134.44 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.97 122.32 39.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.101 -2.185 . . . . 25.0 105.101 176.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -79.76 -26.24 40.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.877 0.37 . . . . 25.0 111.97 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -68.29 -26.45 65.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.696 0.76 . . . . 25.0 109.57 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.17 -8.56 50.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.628 -0.989 . . . . 25.0 110.628 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.77 33.93 9.27 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.178 0.991 . . . . 25.0 111.557 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -129.23 155.65 45.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.423 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -131.21 114.14 14.7 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.55 146.03 26.86 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 111.494 -2.594 . . . . 25.0 109.849 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.29 126.77 32.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -157.9 170.5 22.18 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.8 t -124.24 147.18 48.26 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.16 -2.904 . . . . 25.0 103.16 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.4 9.43 2.7 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.01 -30.35 71.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.618 0.723 . . . . 25.0 110.383 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -131.77 139.31 48.9 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.88 -66.19 1.08 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.794 -1.094 . . . . 25.0 111.802 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 -31.14 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.979 0.895 . . . . 25.0 108.671 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.568 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 14.3 mp0 -72.34 -29.51 63.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.391 -1.277 . . . . 25.0 110.328 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.14 69.94 0.28 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.441 -1.863 . . . . 25.0 108.441 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 118.48 8.74 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 122.674 1.226 . . . . 25.0 109.806 -176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -98.57 165.62 11.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 112.859 -1.973 . . . . 25.0 109.79 -168.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 40.2 p90 -84.61 153.53 23.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.426 -0.806 . . . . 25.0 109.796 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -139.51 135.23 33.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.8 m -136.32 163.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.4 t -144.17 146.94 33.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.94 134.41 38.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -81.16 111.89 18.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.35 179.61 25.36 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 107.017 -2.433 . . . . 25.0 107.017 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.49 27.79 8.37 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 15.9 0.06 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.88 63.91 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.208 -1.775 . . . . 25.0 106.208 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.25 -10.33 59.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.428 -0.806 . . . . 25.0 109.151 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.64 37.84 3.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.857 -0.61 . . . . 25.0 109.538 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.6 113.26 9.45 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.0 p -158.34 165.06 35.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.09 67.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.197 0.522 . . . . 25.0 110.858 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -73.47 -34.43 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.044 -0.41 . . . . 25.0 110.588 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.34 -38.97 49.17 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.291 0.496 . . . . 25.0 112.072 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.6 mt -128.68 125.22 63.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.997 -0.439 . . . . 25.0 111.845 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.3 tp -93.8 130.2 39.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.097 -1.446 . . . . 25.0 107.097 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -145.99 169.07 19.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.42 29.21 3.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.674 0.749 . . . . 25.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.1 146.33 58.49 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.04 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.5 -5.42 16.87 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 114.61 0.965 . . . . 25.0 114.61 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 14.6 p -128.94 141.55 42.12 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -69.8 -179.44 2.93 Favored 'Trans proline' 0 C--O 1.24 0.621 0 N-CA-C 115.479 1.3 . . . . 25.0 115.479 -173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.252 1.218 0 CA-C-O 116.621 -1.657 . . . . 25.0 107.732 179.404 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.433 -0.21 . . . . 25.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.86 -15.39 43.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.873 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -49.4 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.668 0.27 . . . . 25.0 110.466 175.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.71 155.41 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -128.85 30.85 5.03 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.08 31.79 16.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.156 -0.929 . . . . 25.0 113.094 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -62.67 130.04 93.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 32.3 Cg_exo -66.34 151.44 83.28 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 114.054 -3.497 . . . . 25.0 115.533 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.4 mt -82.29 131.64 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.164 -1.791 . . . . 25.0 106.164 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -86.18 111.66 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 122.727 1.251 . . . . 25.0 107.861 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.77 -137.69 3.38 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 113.457 -1.701 . . . . 25.0 111.255 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -125.36 170.22 11.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.258 0.551 . . . . 25.0 111.092 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -88.78 3.73 50.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 25.0 109.544 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.97 173.31 12.72 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.5 101.42 1.59 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -86.77 120.0 27.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.7 95.77 5.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 104.732 -2.322 . . . . 25.0 104.732 165.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.3 mt -138.58 153.93 48.69 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.14 148.76 50.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.769 0.795 . . . . 25.0 112.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.1 -40.2 2.15 Favored Glycine 0 C--O 1.225 -0.438 0 CA-C-N 113.759 -1.564 . . . . 25.0 110.651 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p 46.97 -148.53 0.14 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.089 -1.055 . . . . 25.0 111.76 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.58 -12.79 7.26 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.216 2.302 . . . . 25.0 117.216 -170.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 140.83 58.01 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 53.11 4.67 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 108.962 -1.655 . . . . 25.0 108.962 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.47 144.83 24.78 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 105.597 -2.001 . . . . 25.0 105.597 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO 0.311 3.0 tp10 -140.97 156.18 46.1 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 124.952 1.407 . . . . 75.0 113.764 -175.308 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.15 137.01 44.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 C-N-CA 123.888 0.875 . . . . 25.0 109.863 -162.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 t -114.04 154.79 27.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.62 78.08 0.07 OUTLIER Glycine 0 C--N 1.321 -0.292 0 C-N-CA 119.943 -1.122 . . . . 25.0 112.857 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -77.1 0.02 OUTLIER Glycine 0 C--O 1.238 0.372 0 N-CA-C 119.59 2.596 . . . . 25.0 119.59 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -177.27 14.03 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-O 122.745 1.191 . . . . 25.0 113.784 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.01 164.0 5.47 Favored Glycine 0 C--N 1.31 -0.894 0 N-CA-C 116.517 1.367 . . . . 25.0 116.517 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.02 81.48 5.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.62 152.02 34.08 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -129.1 104.18 7.41 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -125.22 121.42 34.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.8 136.14 49.59 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.33 -9.68 2.05 Favored Glycine 0 C--O 1.211 -1.328 0 C-N-CA 120.195 -1.002 . . . . 25.0 115.492 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 19.9 -97.57 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 119.597 3.184 . . . . 25.0 119.597 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.52 169.48 54.36 Favored Glycine 0 N--CA 1.462 0.421 0 O-C-N 121.01 -1.056 . . . . 25.0 115.547 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.09 162.66 20.06 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-O 121.499 0.499 . . . . 25.0 112.209 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.67 131.97 11.97 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.43 155.21 45.13 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 117.687 0.744 . . . . 50.0 110.127 -167.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.92 101.89 4.15 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.63 135.34 53.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.475 0.655 . . . . 25.0 112.409 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.7 116.75 20.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.477 -1.238 . . . . 25.0 107.723 172.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.72 -19.1 62.3 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 116.651 1.421 . . . . 25.0 116.651 -173.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.02 -158.45 41.45 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-O 125.284 2.602 . . . . 25.0 113.139 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 149.51 30.94 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 109.554 -3.323 . . . . 25.0 111.993 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.87 30.36 Favored Glycine 0 C--N 1.314 -0.67 0 CA-C-N 113.443 -1.708 . . . . 25.0 115.059 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -99.33 104.81 16.74 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.52 152.91 26.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.901 1.074 . . . . 50.0 113.901 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -119.62 109.77 16.06 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 106.992 -1.484 . . . . 25.0 106.992 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.9 mt -121.7 101.45 7.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.193 -0.942 . . . . 25.0 110.404 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.89 -7.81 1.75 Allowed Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.665 1.426 . . . . 25.0 116.665 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.93 -128.87 1.12 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-O 125.5 2.722 . . . . 25.0 119.225 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.53 141.97 45.98 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 109.425 -3.388 . . . . 25.0 111.992 -176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.41 160.7 34.5 Favored Glycine 0 C--O 1.245 0.792 0 N-CA-C 115.592 0.997 . . . . 25.0 115.592 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.61 66.0 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.7 154.94 41.01 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.237 -1.347 . . . . 50.0 109.504 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.1 m -112.19 105.96 14.43 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -99.81 123.38 44.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 102.235 -3.246 . . . . 25.0 102.235 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -125.32 144.77 50.33 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.932 0.872 . . . . 25.0 111.869 -164.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -120.19 102.04 8.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.926 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.81 1.84 37.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.286 -2.487 . . . . 25.0 104.286 162.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 91.43 8.8 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.212 -1.358 . . . . 25.0 110.739 -175.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -85.75 -71.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.337 0.866 . . . . 25.0 113.337 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -69.98 -19.77 63.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.406 1.098 . . . . 25.0 108.161 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -74.46 -8.32 55.9 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.919 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 t -133.61 36.84 3.33 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.58 -0.736 . . . . 25.0 110.155 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -102.61 166.64 10.4 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 154.16 48.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.208 1.188 . . . . 25.0 114.208 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.8 p -150.78 170.68 18.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.78 65.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.62 -6.79 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.675 0.75 . . . . 25.0 111.939 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.22 150.66 5.26 Favored Glycine 0 C--N 1.315 -0.616 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.887 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -118.45 141.11 48.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -125.77 92.49 3.61 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 103.219 -2.882 . . . . 25.0 103.219 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -124.98 177.97 5.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.416 -169.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.65 112.18 18.11 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mp -95.47 104.19 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -83.67 126.28 40.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -101.83 165.77 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 23.15 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.733 2.123 . . . . 25.0 116.733 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.25 39.91 1.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.679 -1.601 . . . . 25.0 114.746 -170.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -139.53 70.95 38.39 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.81 22.33 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.925 0 N-CA-C 110.082 -0.776 . . . . 25.0 110.082 164.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.34 7.44 0.93 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.639 1.576 . . . . 25.0 114.422 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -146.25 54.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.19 22.34 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -111.2 123.53 50.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.2 tp -112.58 125.08 53.88 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -115.53 116.49 28.26 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.585 -0.279 . . . . 25.0 110.366 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.38 15.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.081 -0.387 . . . . 25.0 111.821 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.46 -13.61 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 122.261 -0.275 . . . . 25.0 111.719 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -89.65 -13.09 37.79 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.64 -50.34 4.31 Favored Glycine 0 C--O 1.236 0.241 0 N-CA-C 109.581 -1.408 . . . . 25.0 109.581 -171.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 67.18 171.13 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.893 1.277 . . . . 25.0 108.241 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.86 -33.44 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 178.67 17.13 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 107.683 -2.167 . . . . 25.0 107.683 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.72 40.78 3.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.297 1.048 . . . . 25.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.92 4.4 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.496 -0.774 . . . . 25.0 114.735 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 58.55 27.98 16.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.81 84.71 Favored Glycine 0 N--CA 1.457 0.093 0 N-CA-C 117.624 1.81 . . . . 25.0 117.624 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -127.18 171.14 11.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.745 0.772 . . . . 25.0 109.514 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 37.6 28.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.784 0.834 . . . . 25.0 109.727 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.17 -9.45 32.9 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.294 0.878 . . . . 25.0 115.294 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -78.92 171.63 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.766 0.783 . . . . 25.0 110.62 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.05 171.78 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.92 152.87 48.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 p -109.46 145.65 15.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.6 t -143.52 149.45 37.48 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.78 136.53 53.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.2 p -120.88 122.01 39.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.923 -1.88 . . . . 25.0 105.923 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.16 -31.86 49.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.169 0.509 . . . . 25.0 110.665 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -69.74 -26.32 64.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.672 0.749 . . . . 25.0 109.546 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -94.55 -8.84 59.37 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.293 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.13 30.9 5.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.154 0.981 . . . . 25.0 112.594 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -132.69 158.75 41.54 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -134.69 116.34 14.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 102.563 -3.125 . . . . 25.0 102.563 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.49 149.34 24.94 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 112.226 -2.261 . . . . 25.0 109.775 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.78 127.69 42.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -157.62 168.97 25.75 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.9 t -119.68 154.27 34.32 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 102.905 -2.998 . . . . 25.0 102.905 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.04 2.48 2.35 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.6 -33.34 75.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.689 0.757 . . . . 25.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 44.2 p -133.39 138.6 46.36 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -122.71 -67.99 0.92 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.239 -1.346 . . . . 25.0 111.651 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.7 -29.66 16.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 15.7 mp0 -73.58 -26.56 60.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.208 -1.36 . . . . 25.0 110.094 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.75 73.44 0.22 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 108.25 -1.94 . . . . 25.0 108.25 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 125.6 24.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -119.79 165.99 13.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.67 -1.604 . . . . 25.0 110.011 -162.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.94 152.63 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.037 0.446 . . . . 25.0 112.176 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.03 127.74 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.49 161.84 36.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.5 t -144.37 148.1 34.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -136.29 132.87 36.3 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -80.09 113.52 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.97 179.54 19.75 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 106.62 -2.592 . . . . 25.0 106.62 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -120.56 32.23 6.09 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 14.15 0.08 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.521 1.304 . . . . 25.0 114.521 -175.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -28.91 62.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.05 -11.24 60.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.591 -0.731 . . . . 25.0 109.033 174.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.01 37.28 3.71 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.536 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.93 115.97 10.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.7 p -160.1 164.68 32.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.51 69.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.058 0.456 . . . . 25.0 110.612 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.59 -33.29 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.22 -0.3 . . . . 25.0 110.297 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.98 -40.21 39.98 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.0 mt -128.84 124.44 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.05 131.69 44.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -140.99 168.69 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.92 31.27 3.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.387 0.613 . . . . 25.0 111.505 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.83 149.63 35.97 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.6 0.51 8.04 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 114.93 1.089 . . . . 25.0 114.93 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.95 135.3 26.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 105.238 -2.134 . . . . 25.0 105.238 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.84 -178.82 3.72 Favored 'Trans proline' 0 C--O 1.243 0.749 0 N-CA-C 115.469 1.296 . . . . 25.0 115.469 -172.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 116.612 -1.661 . . . . 25.0 107.051 177.111 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.49 -15.85 42.24 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 116.165 -2.09 . . . . 25.0 113.697 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -41.25 60.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.662 0.268 . . . . 25.0 110.5 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.12 140.58 9.09 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.457 -1.312 . . . . 25.0 107.457 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.07 20.16 19.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.56 41.76 28.14 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.771 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -64.43 122.99 81.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.28 145.58 98.3 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 115.486 -2.543 . . . . 25.0 115.335 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.16 129.63 37.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.19 115.97 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 123.066 1.412 . . . . 25.0 107.829 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -138.06 2.96 Favored Glycine 0 C--N 1.313 -0.747 0 CA-C-N 112.791 -2.004 . . . . 25.0 110.577 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -122.57 166.68 14.43 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.463 -0.433 . . . . 25.0 110.518 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -86.05 2.19 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.416 0.627 . . . . 25.0 109.68 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.0 176.47 9.8 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.37 110.72 4.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.746 -1.575 . . . . 25.0 106.746 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -88.62 124.06 33.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.269 -1.011 . . . . 50.0 108.269 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -110.63 95.34 5.5 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.766 -3.05 . . . . 25.0 102.766 166.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.07 153.68 45.59 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -129.85 150.32 51.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.894 0.854 . . . . 25.0 111.393 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.69 -38.04 2.46 Favored Glycine 0 CA--C 1.496 -1.141 0 CA-C-N 114.106 -1.406 . . . . 25.0 111.593 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 p 47.27 -147.46 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.932 -1.134 . . . . 25.0 111.727 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.26 -10.7 7.33 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 116.493 2.034 . . . . 25.0 116.493 -170.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 140.06 57.17 Favored 'General case' 0 C--O 1.247 0.952 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.44 41.74 3.09 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -144.59 148.99 35.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.282 3.5 tp10 -140.74 154.06 46.16 Favored 'General case' 0 C--O 1.211 -0.927 0 C-N-CA 123.997 0.919 . . . . 75.0 113.453 -173.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -96.54 139.11 20.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 113.859 -1.519 . . . . 25.0 111.125 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -115.82 149.05 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.4 76.32 0.09 OUTLIER Glycine 0 N--CA 1.463 0.495 0 C-N-CA 119.994 -1.098 . . . . 25.0 112.471 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -30.91 -78.06 0.02 OUTLIER Glycine 0 C--O 1.238 0.355 0 N-CA-C 119.327 2.491 . . . . 25.0 119.327 -167.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.34 -175.67 10.13 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-O 122.759 1.199 . . . . 25.0 113.602 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.52 165.96 4.86 Favored Glycine 0 C--N 1.31 -0.865 0 N-CA-C 116.78 1.472 . . . . 25.0 116.78 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.24 81.96 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.56 152.28 30.2 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.9 104.2 7.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -127.05 120.66 29.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 106.234 -1.765 . . . . 25.0 106.234 -170.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.35 136.31 50.65 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 106.349 -1.723 . . . . 25.0 106.349 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.68 -3.96 6.35 Favored Glycine 0 C--O 1.211 -1.315 0 CA-C-O 119.003 -0.887 . . . . 25.0 115.134 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 19.53 -99.81 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.642 2.46 . . . . 25.0 117.642 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.09 167.32 54.28 Favored Glycine 0 C--O 1.255 1.445 0 CA-C-O 122.605 1.114 . . . . 25.0 115.446 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.2 167.42 35.9 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.011 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.92 136.48 19.83 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 106.416 -2.673 . . . . 25.0 106.416 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -127.96 155.14 44.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.393 0.596 . . . . 50.0 109.934 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 48.4 mt -140.61 98.26 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.24 135.37 55.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 25.0 111.652 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 113.28 14.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.27 -1.752 . . . . 25.0 106.27 171.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.42 -19.53 76.28 Favored Glycine 0 C--O 1.236 0.255 0 N-CA-C 116.221 1.249 . . . . 25.0 116.221 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 72.86 -169.35 52.7 Favored Glycine 0 N--CA 1.421 -2.31 0 CA-C-O 124.834 2.352 . . . . 25.0 112.279 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.59 148.41 24.23 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 110.38 -2.91 . . . . 25.0 111.026 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.53 -176.19 27.39 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 113.586 -1.643 . . . . 25.0 114.524 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -97.38 104.29 16.3 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -111.88 154.81 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -118.23 107.26 13.7 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.2 102.0 8.65 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 111.476 0.176 . . . . 25.0 111.476 -172.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.4 137.53 38.7 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.409 -0.807 . . . . 25.0 109.774 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.02 -16.35 3.28 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 116.398 1.319 . . . . 25.0 116.398 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.65 -130.76 35.21 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 125.857 2.92 . . . . 25.0 116.723 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -62.15 146.36 50.8 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 108.775 -3.712 . . . . 25.0 110.858 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.22 160.89 36.97 Favored Glycine 0 C--O 1.244 0.763 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.43 67.58 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.79 153.25 42.36 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.799 -1.546 . . . . 50.0 108.951 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 m -115.08 102.26 9.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -95.12 128.49 42.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -127.25 142.22 51.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.949 0.88 . . . . 25.0 112.207 -165.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -122.26 101.32 7.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.35 -1.295 . . . . 25.0 112.762 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.14 14.02 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 102.092 -3.299 . . . . 25.0 102.092 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.8 mt -86.25 76.13 9.75 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 113.307 -1.77 . . . . 25.0 112.406 -170.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -77.86 -73.72 0.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.006 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.15 -19.46 62.42 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.352 1.073 . . . . 25.0 108.388 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -75.5 -11.94 60.13 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 114.729 -1.123 . . . . 25.0 111.765 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 45.78 2.4 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.121 0.486 . . . . 25.0 110.363 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -102.45 163.51 12.19 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.251 0.548 . . . . 25.0 112.473 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -140.18 153.31 46.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -178.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -150.9 168.32 24.87 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.5 66.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.25 -5.62 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 25.0 111.981 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.53 150.86 5.29 Favored Glycine 0 C--N 1.316 -0.562 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.165 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.8 p -117.84 140.9 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -125.78 92.3 3.57 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -125.78 178.59 5.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.323 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -117.21 111.21 19.13 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.71 105.15 17.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -86.88 120.77 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.62 160.69 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.35 -0.219 . . . . 25.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.25 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 123.4 1.572 . . . . 25.0 114.238 -177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -149.05 36.32 0.76 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 113.264 -1.789 . . . . 25.0 114.875 -169.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.59 69.84 45.26 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 117.326 2.343 . . . . 25.0 117.326 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.66 21.89 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.818 0 N-CA-C 110.04 -0.792 . . . . 25.0 110.04 164.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p 58.76 8.29 0.91 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 25.0 114.233 -170.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -145.26 54.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.12 155.84 24.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.302 -2.11 . . . . 50.0 105.302 173.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -111.44 131.05 55.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.384 1.088 . . . . 25.0 113.523 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -121.92 132.82 54.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -119.06 118.76 32.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.624 -0.262 . . . . 25.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.7 13.49 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -68.85 -23.94 64.29 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.022 -0.424 . . . . 25.0 111.248 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.86 61.56 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.505 0.193 . . . . 25.0 111.455 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.78 -14.41 34.6 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.8 -50.92 4.48 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 t80 71.89 161.5 0.24 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.55 1.54 . . . . 25.0 109.089 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -117.09 -21.06 9.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.49 177.42 14.88 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.69 34.77 5.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.945 0.878 . . . . 25.0 110.904 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.35 57.44 3.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 59.36 27.02 16.01 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.759 1.763 . . . . 25.0 115.759 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.59 7.97 85.4 Favored Glycine 0 CA--C 1.513 -0.058 0 N-CA-C 117.768 1.867 . . . . 25.0 117.768 167.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -125.01 169.04 12.51 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.633 0.716 . . . . 25.0 109.512 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.99 37.87 26.72 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.915 0.886 . . . . 25.0 109.485 -173.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.05 -14.47 14.32 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.38 170.84 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.735 0.768 . . . . 25.0 110.603 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.18 171.82 7.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.45 152.77 45.96 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.37 142.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 106.653 -1.61 . . . . 25.0 106.653 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -145.12 145.23 31.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.6 128.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.8 p -120.94 125.23 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -75.36 -23.56 57.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.87 -26.76 66.18 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.68 0.752 . . . . 25.0 109.728 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.13 -10.05 46.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.289 -1.124 . . . . 25.0 110.289 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.08 32.17 9.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.152 0.981 . . . . 25.0 111.375 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -131.11 152.9 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.688 -0.687 . . . . 25.0 112.806 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -122.24 104.64 9.59 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -90.73 145.46 24.79 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 111.402 -2.635 . . . . 25.0 109.237 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.58 127.91 41.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -157.76 165.36 35.56 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.36 151.22 36.37 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.021 -3.326 . . . . 25.0 102.021 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -138.69 5.88 2.44 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 -176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.3 -33.49 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.536 0.684 . . . . 25.0 111.225 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.7 p -134.76 136.63 42.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 106.56 -1.644 . . . . 25.0 106.56 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -128.67 -73.37 0.58 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.124 -1.398 . . . . 25.0 110.346 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -29.02 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 19.3 mp0 -78.47 -22.93 46.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.275 -1.329 . . . . 25.0 111.203 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.04 81.25 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.527 -2.229 . . . . 25.0 107.527 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 118.63 8.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 123.205 1.478 . . . . 25.0 109.838 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -179.58 5.11 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 112.014 -2.357 . . . . 25.0 110.024 -164.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.3 156.3 17.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.54 132.2 19.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.8 m -138.7 163.51 27.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -148.18 146.53 28.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tt -132.05 133.68 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -79.18 116.04 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.03 179.61 19.17 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 106.687 -2.565 . . . . 25.0 106.687 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.7 32.36 6.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 16.47 0.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.1 64.77 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.895 -1.891 . . . . 25.0 105.895 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.58 -8.54 57.02 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.417 -0.811 . . . . 25.0 109.418 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.25 39.84 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.117 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.3 117.77 17.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.8 p -158.82 164.59 35.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.81 68.42 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.162 0.506 . . . . 25.0 110.814 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.9 -32.6 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.094 -0.379 . . . . 25.0 110.257 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -41.0 42.59 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.216 0.462 . . . . 25.0 111.866 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.9 mt -128.34 124.96 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.98 -0.45 . . . . 25.0 112.119 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 52.5 tp -94.75 130.75 41.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -147.79 168.65 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -138.43 29.89 2.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.573 0.701 . . . . 25.0 110.861 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.17 146.82 52.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.62 -6.19 18.3 Favored 'Trans proline' 0 C--N 1.352 0.724 0 N-CA-C 114.498 0.922 . . . . 25.0 114.498 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.61 138.59 32.78 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 104.521 -2.4 . . . . 25.0 104.521 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.17 178.51 4.75 Favored 'Trans proline' 0 C--O 1.245 0.839 0 N-CA-C 115.802 1.424 . . . . 25.0 115.802 -172.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.447 -1.739 . . . . 25.0 106.521 177.525 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 110.537 -0.171 . . . . 25.0 110.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.18 -15.32 42.58 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 116.138 -2.108 . . . . 25.0 113.817 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -41.01 60.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.548 0.213 . . . . 25.0 110.605 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.3 139.36 8.14 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.03 17.93 22.42 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.32 45.02 20.84 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.951 0.9 . . . . 25.0 110.669 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -63.25 134.98 96.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.499 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.23 131.36 38.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 116.051 -2.166 . . . . 25.0 112.7 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -82.13 127.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.91 113.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.785 1.278 . . . . 25.0 108.524 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.44 -136.32 2.85 Favored Glycine 0 C--N 1.317 -0.501 0 CA-C-N 113.429 -1.714 . . . . 25.0 109.943 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -132.04 169.58 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.135 -0.626 . . . . 25.0 110.675 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -88.28 3.96 47.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 25.0 109.49 173.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -82.18 176.33 9.58 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.597 -1.26 . . . . 25.0 107.597 170.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.03 111.09 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.63 121.74 37.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -112.88 95.07 5.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -135.76 153.9 51.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -127.53 150.29 49.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.795 0.807 . . . . 25.0 111.147 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.89 -37.73 2.68 Favored Glycine 0 CA--C 1.504 -0.652 0 CA-C-N 114.109 -1.405 . . . . 25.0 110.909 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.6 p 47.51 -148.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.082 -1.059 . . . . 25.0 111.679 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.24 -12.66 14.01 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -171.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 139.38 58.16 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.12 38.67 3.19 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.237 -1.145 . . . . 25.0 110.237 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -140.22 139.75 35.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.416 -2.439 . . . . 25.0 104.416 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 4.7 tp10 -140.83 154.08 46.05 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.373 2.36 . . . . 75.0 117.373 -167.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.4 mp -88.32 138.06 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 113.187 -1.824 . . . . 25.0 114.026 -165.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -114.17 149.73 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.58 69.95 0.08 OUTLIER Glycine 0 N--CA 1.465 0.572 0 C-N-CA 119.792 -1.194 . . . . 25.0 113.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -32.25 -74.86 0.05 OUTLIER Glycine 0 N--CA 1.459 0.221 0 N-CA-C 120.144 2.817 . . . . 25.0 120.144 -169.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.18 -176.07 10.31 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-O 122.626 1.125 . . . . 25.0 114.748 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.22 171.15 9.24 Favored Glycine 0 C--N 1.314 -0.671 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 83.39 3.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -78.88 153.12 30.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -130.25 103.97 7.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 169.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.88 118.27 25.11 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.81 136.2 50.22 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.62 -3.48 8.5 Favored Glycine 0 C--O 1.214 -1.11 0 CA-C-O 119.232 -0.76 . . . . 25.0 114.813 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 21.39 -105.75 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 118.045 2.609 . . . . 25.0 118.045 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.37 52.58 Favored Glycine 0 C--O 1.24 0.481 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.82 172.14 35.56 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-O 122.5 1.056 . . . . 25.0 112.228 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 134.31 15.21 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 107.943 -2.063 . . . . 25.0 107.943 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -127.19 151.67 48.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.754 0.777 . . . . 50.0 109.279 -171.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 76.3 mt -132.17 98.03 4.3 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 140.72 50.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -145.51 165.7 27.84 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.59 29.09 1.05 Allowed Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.305 -0.95 . . . . 25.0 112.855 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 23.41 -128.7 0.02 OUTLIER Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 118.413 2.125 . . . . 25.0 118.413 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 145.18 56.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 112.154 -2.023 . . . . 25.0 113.545 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.0 -171.81 23.96 Favored Glycine 0 C--N 1.316 -0.566 0 CA-C-N 113.517 -1.674 . . . . 25.0 116.619 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -100.38 110.59 22.81 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 102.405 -3.183 . . . . 25.0 102.405 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.04 158.57 26.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.851 -1.068 . . . . 50.0 112.896 -170.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -120.25 105.86 11.35 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.368 -1.716 . . . . 25.0 106.368 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.6 mt -124.55 120.14 31.1 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.37 139.36 52.9 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.17 0.441 . . . . 25.0 111.856 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.84 -20.38 4.16 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 115.821 1.088 . . . . 25.0 115.821 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.91 43.59 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-O 125.649 2.805 . . . . 25.0 116.475 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 145.59 53.49 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 109.156 -3.522 . . . . 25.0 110.314 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.73 164.2 40.1 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.411 0.924 . . . . 25.0 115.411 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.68 67.9 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.21 154.55 39.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.762 -1.563 . . . . 50.0 109.013 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.3 m -113.08 108.84 17.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 25.0 110.216 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -85.15 135.73 33.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.829 -1.915 . . . . 25.0 105.829 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -119.97 125.57 48.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.546 0.689 . . . . 25.0 110.732 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -121.68 97.58 5.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.51 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.97 14.36 28.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.847 -2.279 . . . . 25.0 104.847 166.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 87.7 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.44 -1.255 . . . . 25.0 111.979 -171.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -83.89 -61.81 1.73 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.96 0.409 . . . . 25.0 110.913 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -67.37 -26.99 66.74 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.418 1.104 . . . . 25.0 109.96 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.93 -6.29 48.43 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.506 -1.225 . . . . 25.0 111.4 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -140.03 47.91 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 21.7 pt20 -102.21 164.32 11.75 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 -171.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.71 151.86 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.189 -0.914 . . . . 25.0 111.616 -177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.8 p -150.68 170.88 18.13 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.9 67.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.1 50.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.14 161.92 8.92 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.514 -0.766 . . . . 25.0 114.236 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -118.69 138.36 52.68 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.859 0.362 . . . . 25.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.82 92.4 3.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.946 -2.242 . . . . 25.0 104.946 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.6 p -125.39 166.66 16.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.64 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -94.83 117.34 29.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.239 0.543 . . . . 50.0 109.688 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.54 106.7 18.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.55 115.99 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.04 157.42 16.88 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.604 0.362 . . . . 25.0 110.207 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.8 78.74 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 123.284 1.516 . . . . 25.0 114.383 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.33 38.33 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.408 -1.723 . . . . 25.0 115.503 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -138.0 69.96 49.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.25 20.99 1.06 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 N-CA-C 110.177 -0.74 . . . . 25.0 110.177 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 58.78 7.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.54 1.536 . . . . 25.0 114.601 -171.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.97 54.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.24 155.44 22.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.028 -1.842 . . . . 50.0 106.028 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -111.16 134.85 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.329 1.061 . . . . 25.0 113.696 -175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.6 tp -126.85 131.53 51.18 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.53 116.65 28.53 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.697 0.284 . . . . 25.0 110.649 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.15 9.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -71.82 -15.69 62.15 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.189 -0.319 . . . . 25.0 111.332 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.12 -23.85 66.57 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.912 0.387 . . . . 25.0 110.872 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.26 -2.91 26.41 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.83 -39.51 2.73 Favored Glycine 0 C--N 1.319 -0.413 0 CA-C-N 113.906 -1.497 . . . . 25.0 111.868 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.6 t80 69.66 163.98 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.313 1.445 . . . . 25.0 108.573 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 p -114.3 -27.66 7.53 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.51 173.14 13.22 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 107.92 -2.072 . . . . 25.0 107.92 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -121.41 32.47 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.352 1.076 . . . . 25.0 110.391 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.6 59.38 3.35 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 116.179 1.232 . . . . 25.0 116.179 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 60.67 25.69 15.45 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.98 81.85 Favored Glycine 0 CA--C 1.512 -0.155 0 N-CA-C 118.153 2.021 . . . . 25.0 118.153 165.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -125.42 167.93 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.765 0.782 . . . . 25.0 109.452 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.48 38.88 28.27 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 25.0 109.644 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.81 -15.41 15.04 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.387 -0.824 . . . . 25.0 115.125 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -73.04 171.86 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.722 0.761 . . . . 25.0 110.593 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.76 170.3 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.22 152.86 40.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.98 144.16 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -145.65 152.22 39.29 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.21 133.31 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.19 40.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -79.34 -26.94 42.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.161 0.505 . . . . 25.0 111.097 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.59 -26.4 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 25.0 109.504 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.71 -9.19 53.28 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.742 -0.943 . . . . 25.0 110.742 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.1 33.47 12.21 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.156 0.982 . . . . 25.0 111.454 -176.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -132.16 151.93 51.54 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -122.0 104.82 9.78 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -88.32 143.31 27.09 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 111.301 -2.681 . . . . 25.0 109.412 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.91 127.65 42.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -157.7 164.52 37.05 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.1 t -117.78 148.76 41.76 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 102.26 -3.237 . . . . 25.0 102.26 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.79 4.7 3.33 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.35 0.595 . . . . 25.0 111.439 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.3 p -133.03 130.28 39.2 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -128.33 -75.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.909 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.51 62.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 21.3 mp0 -78.03 -22.23 49.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.381 -1.282 . . . . 25.0 111.239 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.48 79.61 0.06 OUTLIER Glycine 0 C--O 1.224 -0.501 0 N-CA-C 109.831 -1.308 . . . . 25.0 109.831 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 126.28 27.22 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.774 1.273 . . . . 25.0 110.749 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -179.79 5.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 112.447 -2.16 . . . . 25.0 110.365 -167.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 42.5 p90 -110.85 159.82 17.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.028 0.442 . . . . 25.0 110.574 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -142.61 139.14 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 -174.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.62 163.53 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 105.814 -1.921 . . . . 25.0 105.814 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.9 t -145.38 142.15 29.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.75 130.72 52.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.68 113.89 14.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.46 -179.98 19.79 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 106.87 -2.492 . . . . 25.0 106.87 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -121.32 34.43 5.2 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 17.96 0.06 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.139 0.971 . . . . 25.0 113.494 -175.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.39 66.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 170.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.53 -6.05 56.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.376 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.9 42.3 3.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.264 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.4 124.98 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.6 p -161.81 166.15 26.82 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.77 -29.66 67.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.204 0.526 . . . . 25.0 110.822 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.61 -31.42 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.88 -0.513 . . . . 25.0 109.829 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.55 -41.63 45.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.104 0.411 . . . . 25.0 111.772 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.25 124.49 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 121.564 -0.71 . . . . 25.0 112.261 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.68 128.76 37.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -142.59 168.61 19.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.422 -1.696 . . . . 25.0 106.422 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.73 31.64 3.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.396 0.617 . . . . 25.0 111.005 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.24 149.74 39.07 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.4 -13.09 30.31 Favored 'Trans proline' 0 C--N 1.352 0.74 0 N-CA-C 115.019 1.123 . . . . 25.0 115.019 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.03 124.72 35.69 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 105.428 -2.064 . . . . 25.0 105.428 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.79 -174.03 2.06 Favored 'Trans proline' 0 C--O 1.243 0.727 0 N-CA-C 115.184 1.186 . . . . 25.0 115.184 -172.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.175 -1.393 . . . . 25.0 107.66 171.793 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.456 -0.201 . . . . 25.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.25 -14.98 41.84 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 116.195 -2.07 . . . . 25.0 113.762 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -45.31 44.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.64 0.257 . . . . 25.0 110.648 175.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.0 151.38 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.672 -1.232 . . . . 25.0 107.672 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.36 19.45 12.75 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.28 44.42 24.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.883 0.873 . . . . 25.0 110.806 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -67.17 121.86 80.26 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.94 141.82 95.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 115.883 -2.278 . . . . 25.0 113.803 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mt -82.16 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -90.13 114.33 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-O 122.868 1.318 . . . . 25.0 107.525 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 -138.68 3.56 Favored Glycine 0 C--N 1.315 -0.632 0 CA-C-N 113.086 -1.87 . . . . 25.0 110.553 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -124.66 165.5 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.952 0.406 . . . . 25.0 110.492 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -86.04 2.07 47.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.39 0.614 . . . . 25.0 109.832 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.69 175.52 10.54 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 170.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.38 110.87 3.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.552 -1.647 . . . . 25.0 106.552 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -87.73 127.2 35.31 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 107.76 -1.2 . . . . 50.0 107.76 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -114.77 94.97 5.0 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 102.711 -3.07 . . . . 25.0 102.711 166.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.63 153.41 46.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -129.45 149.22 51.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 25.0 111.528 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.35 -40.04 1.99 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 114.035 -1.439 . . . . 25.0 111.385 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.0 p 45.25 -143.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.353 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.58 -11.45 7.17 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 -169.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 138.32 58.0 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.26 44.3 3.35 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 109.682 -1.367 . . . . 25.0 109.682 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -149.85 153.85 37.42 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 103.828 -2.656 . . . . 25.0 103.828 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.1 tp10 -140.69 -179.9 6.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.842 0.353 . . . . 75.0 111.944 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.507 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.7 mp -116.01 139.33 43.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 25.0 112.657 -167.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.1 t -112.81 148.39 34.94 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.73 72.83 0.1 OUTLIER Glycine 0 N--CA 1.46 0.3 0 C-N-CA 120.217 -0.992 . . . . 25.0 112.368 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.94 -76.09 0.03 OUTLIER Glycine 0 C--O 1.238 0.378 0 N-CA-C 119.511 2.565 . . . . 25.0 119.511 -168.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.42 11.05 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-O 122.691 1.162 . . . . 25.0 114.011 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.59 165.43 4.66 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.57 81.6 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -78.59 150.93 32.65 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -129.11 104.1 7.36 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 105.093 -2.188 . . . . 25.0 105.093 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -127.24 121.2 30.55 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -111.11 136.05 50.72 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -6.52 3.58 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-O 119.11 -0.828 . . . . 25.0 115.097 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 16.47 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 118.708 2.855 . . . . 25.0 118.708 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.43 164.32 54.14 Favored Glycine 0 C--O 1.251 1.209 0 O-C-N 120.908 -1.12 . . . . 25.0 115.6 -175.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.96 167.77 33.62 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.33 133.34 12.69 Favored Glycine 0 C--N 1.314 -0.65 0 N-CA-C 107.071 -2.411 . . . . 25.0 107.071 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -126.7 153.6 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.355 0.578 . . . . 50.0 111.207 -169.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.17 98.48 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.65 133.08 53.97 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.543 0.942 . . . . 25.0 113.543 -171.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.36 117.79 22.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.69 -1.596 . . . . 25.0 106.69 172.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.37 -16.64 68.46 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.72 1.448 . . . . 25.0 116.72 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.35 -158.04 43.24 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-O 125.359 2.644 . . . . 25.0 113.056 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 148.55 32.61 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 109.439 -3.38 . . . . 25.0 112.104 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.34 -172.84 29.45 Favored Glycine 0 C--N 1.312 -0.755 0 CA-C-N 113.572 -1.649 . . . . 25.0 115.1 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -99.7 105.77 17.62 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -112.58 152.92 28.32 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 -170.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -118.87 109.21 15.75 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -120.88 107.04 12.23 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-O 119.671 -0.204 . . . . 25.0 111.353 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.74 142.69 33.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.231 -0.918 . . . . 25.0 110.507 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.07 -8.1 1.66 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.92 -125.79 1.84 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-O 125.146 2.525 . . . . 25.0 118.539 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.13 144.82 39.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 109.669 -3.266 . . . . 25.0 111.937 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.81 161.07 37.14 Favored Glycine 0 C--O 1.245 0.808 0 N-CA-C 115.662 1.025 . . . . 25.0 115.662 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.64 65.81 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.39 152.56 44.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.19 -1.368 . . . . 50.0 109.408 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.5 m -110.45 96.12 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.612 -0.885 . . . . 25.0 108.612 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -90.56 122.44 33.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 102.368 -3.197 . . . . 25.0 102.368 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.94 147.22 50.11 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 122.074 0.94 . . . . 25.0 112.094 -164.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.32 102.06 8.22 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.323 -1.308 . . . . 25.0 111.66 -174.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.95 1.33 36.6 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 161.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.42 91.83 8.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.192 -1.367 . . . . 25.0 110.462 -176.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -85.93 -72.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.244 -0.889 . . . . 25.0 113.003 -173.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -70.52 -18.67 62.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.428 1.109 . . . . 25.0 108.179 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.24 -7.7 54.6 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 114.48 -1.236 . . . . 25.0 111.903 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 36.21 3.67 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.753 -0.658 . . . . 25.0 110.149 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.13 165.09 11.35 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -138.36 152.31 48.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -178.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.98 168.98 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.342 -1.725 . . . . 25.0 106.342 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.06 66.42 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.26 50.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.522 0.677 . . . . 25.0 112.009 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.15 152.8 5.7 Favored Glycine 0 C--N 1.316 -0.554 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.368 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.9 p -118.73 142.08 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -124.94 92.18 3.59 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 104.06 -2.57 . . . . 25.0 104.06 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -122.45 177.17 5.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.759 -0.655 . . . . 25.0 110.679 -170.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.44 112.51 18.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.17 105.39 17.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -85.55 122.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.44 159.91 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.62 79.91 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.059 1.409 . . . . 25.0 114.584 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.24 39.79 0.76 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -169.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.67 72.65 24.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 117.716 2.487 . . . . 25.0 117.716 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -87.73 22.76 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 110.324 -0.683 . . . . 25.0 110.324 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.63 7.96 1.16 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.665 1.586 . . . . 25.0 114.136 -171.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -146.12 55.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.49 155.95 23.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.858 -1.904 . . . . 50.0 105.858 174.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -111.24 125.13 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.175 0.988 . . . . 25.0 113.421 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 tp -114.43 125.05 53.39 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.063 -1.829 . . . . 25.0 106.063 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -116.1 119.53 36.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.792 -0.186 . . . . 25.0 110.67 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.41 13.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.1 p -66.01 -30.03 70.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.195 0.443 . . . . 25.0 112.195 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.91 61.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.58 -14.82 36.68 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.89 -50.78 4.22 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 109.131 -1.587 . . . . 25.0 109.131 -171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.6 t80 68.5 167.76 0.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.882 1.273 . . . . 25.0 109.037 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.3 p -121.16 -20.87 6.61 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 -174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.34 176.74 14.54 Favored Glycine 0 CA--C 1.507 -0.407 0 N-CA-C 108.864 -1.694 . . . . 25.0 108.864 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -125.44 34.72 4.88 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.15 0.975 . . . . 25.0 111.093 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.51 58.36 3.75 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.24 -0.891 . . . . 25.0 115.127 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 58.74 27.42 15.92 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.61 1.708 . . . . 25.0 115.61 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.89 9.78 83.96 Favored Glycine 0 CA--C 1.512 -0.123 0 N-CA-C 117.618 1.807 . . . . 25.0 117.618 168.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -126.2 168.88 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.737 0.769 . . . . 25.0 109.417 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.91 37.87 26.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.953 0.901 . . . . 25.0 109.588 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.3 -15.18 12.77 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -73.01 171.45 12.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.578 0.689 . . . . 25.0 110.303 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.14 171.79 7.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.304 -0.998 . . . . 25.0 108.304 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.17 152.79 44.01 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.696 -1.964 . . . . 25.0 105.696 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.89 142.58 24.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.786 -1.931 . . . . 25.0 105.786 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.6 t -144.88 150.65 37.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.17 132.8 63.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.39 122.22 40.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -78.81 -26.33 44.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.025 0.44 . . . . 25.0 111.133 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -68.37 -26.79 65.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.612 0.72 . . . . 25.0 109.524 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.69 52.24 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.52 -1.032 . . . . 25.0 110.52 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 32.33 10.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.236 1.015 . . . . 25.0 111.45 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -131.55 152.84 50.44 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -123.3 105.86 10.21 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 104.147 -2.538 . . . . 25.0 104.147 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -91.13 145.28 24.81 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 111.302 -2.681 . . . . 25.0 109.349 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.8 125.39 37.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -157.94 168.91 25.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -118.64 155.21 31.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 102.554 -3.128 . . . . 25.0 102.554 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.0 0.41 2.16 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 113.259 0.837 . . . . 25.0 113.259 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.95 -34.12 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.514 0.674 . . . . 25.0 110.873 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.1 p -133.16 133.64 43.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -127.95 -73.82 0.59 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.955 -1.475 . . . . 25.0 110.018 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -77.57 -28.87 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.18 -1.044 . . . . 25.0 108.18 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 21.6 mp0 -77.87 -21.05 51.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.207 -1.361 . . . . 25.0 111.08 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.74 82.33 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 107.909 -2.076 . . . . 25.0 107.909 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 118.01 7.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.959 1.361 . . . . 25.0 109.83 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -179.87 5.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.397 -2.183 . . . . 25.0 110.484 -166.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.69 157.76 16.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.766 -0.197 . . . . 25.0 111.443 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.01 129.76 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.06 164.18 25.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 106.816 -1.55 . . . . 25.0 106.816 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -134.33 131.66 38.6 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.82 114.01 17.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.26 -179.84 20.46 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.989 -2.444 . . . . 25.0 106.989 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.89 30.36 6.92 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 13.31 0.09 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.1 62.5 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 106.489 -1.671 . . . . 25.0 106.489 170.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.19 -11.84 60.4 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.505 -0.771 . . . . 25.0 108.923 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -114.34 37.53 3.34 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.766 -0.652 . . . . 25.0 109.435 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.51 115.19 9.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.8 p -159.85 164.68 33.42 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.2 69.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.106 0.479 . . . . 25.0 110.666 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.11 -32.91 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.035 -0.415 . . . . 25.0 110.446 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -78.48 -37.63 42.91 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.06 127.47 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 112.816 0.672 . . . . 25.0 112.816 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.38 132.31 47.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.247 -1.39 . . . . 25.0 107.247 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.4 168.0 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.83 30.06 2.08 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.586 0.708 . . . . 25.0 110.844 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.27 148.33 47.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.37 -6.62 19.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 N-CA-C 114.559 0.946 . . . . 25.0 114.559 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.04 138.75 32.75 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 104.068 -2.567 . . . . 25.0 104.068 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.94 -179.42 3.42 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 117.241 -1.373 . . . . 25.0 115.43 -172.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 116.495 -1.717 . . . . 25.0 106.911 177.865 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 110.481 -0.192 . . . . 25.0 110.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.11 -14.28 40.38 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.016 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -51.51 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.124 -0.325 . . . . 25.0 110.124 175.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.37 156.96 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.246 -1.391 . . . . 25.0 107.246 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.75 25.52 6.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.01 38.54 30.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.557 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -63.5 123.8 82.3 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -62.14 148.01 94.0 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.025 -2.85 . . . . 25.0 114.652 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.6 131.82 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 105.693 -1.965 . . . . 25.0 105.693 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.57 114.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 123.143 1.449 . . . . 25.0 107.761 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.24 -137.29 2.55 Favored Glycine 0 C--N 1.314 -0.693 0 CA-C-N 112.693 -2.049 . . . . 25.0 110.094 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -127.56 164.57 21.68 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.375 -0.485 . . . . 25.0 109.804 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -85.82 2.53 45.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.441 0.639 . . . . 25.0 109.818 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.54 176.79 9.48 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 170.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.46 112.28 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.01 132.33 34.79 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -119.66 95.31 4.73 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 102.447 -3.168 . . . . 25.0 102.447 165.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -140.9 153.86 45.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -130.71 148.98 52.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.962 0.886 . . . . 25.0 111.886 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -40.88 1.8 Allowed Glycine 0 CA--C 1.497 -1.06 0 CA-C-N 113.88 -1.509 . . . . 25.0 111.005 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.3 p 46.04 -145.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.808 -1.196 . . . . 25.0 111.365 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.71 -8.53 4.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.792 2.145 . . . . 25.0 116.792 -170.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 137.73 58.14 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.49 45.96 3.59 Favored Glycine 0 C--O 1.224 -0.474 0 N-CA-C 110.407 -1.077 . . . . 25.0 110.407 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -151.39 157.33 42.27 Favored 'General case' 0 C--O 1.248 1.001 0 N-CA-C 104.305 -2.48 . . . . 25.0 104.305 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.68 -179.64 6.16 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -115.51 139.94 39.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 123.045 0.538 . . . . 25.0 111.322 -168.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 t -113.76 146.98 39.09 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.33 -1.73 . . . . 25.0 106.33 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.23 69.12 0.1 OUTLIER Glycine 0 N--CA 1.461 0.319 0 C-N-CA 120.036 -1.078 . . . . 25.0 112.359 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.09 -73.21 0.05 OUTLIER Glycine 0 C--O 1.238 0.356 0 N-CA-C 119.751 2.66 . . . . 25.0 119.751 -168.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.47 -176.69 11.83 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 122.659 1.144 . . . . 25.0 114.017 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.33 165.05 4.19 Favored Glycine 0 C--N 1.31 -0.87 0 N-CA-C 117.083 1.593 . . . . 25.0 117.083 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.04 81.18 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.43 151.18 31.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -169.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -128.62 104.86 7.9 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -126.56 123.29 37.38 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 104.782 -2.303 . . . . 25.0 104.782 -170.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -110.89 135.88 50.76 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.168 -1.79 . . . . 25.0 106.168 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.7 -9.69 2.21 Favored Glycine 0 C--O 1.21 -1.366 0 N-CA-C 115.496 0.958 . . . . 25.0 115.496 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 20.88 -101.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 118.008 2.595 . . . . 25.0 118.008 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.47 167.29 54.75 Favored Glycine 0 C--O 1.256 1.478 0 N-CA-C 115.879 1.111 . . . . 25.0 115.879 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.38 166.69 34.9 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 114.179 -1.01 . . . . 25.0 110.663 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.04 132.4 12.14 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.131 -2.388 . . . . 25.0 107.131 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -126.75 152.78 46.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.094 0.447 . . . . 50.0 111.138 -170.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -137.48 99.91 4.08 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.65 135.07 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.765 1.024 . . . . 25.0 113.765 -170.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.2 115.14 17.9 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 172.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -17.75 66.44 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 116.539 1.376 . . . . 25.0 116.539 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.17 -155.95 42.25 Favored Glycine 0 N--CA 1.427 -1.965 0 CA-C-O 125.58 2.767 . . . . 25.0 113.765 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.1 148.6 35.29 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 109.16 -3.52 . . . . 25.0 112.086 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.22 -173.68 30.42 Favored Glycine 0 C--N 1.312 -0.765 0 CA-C-N 113.548 -1.66 . . . . 25.0 115.278 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -97.83 104.19 16.19 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 105.063 -2.199 . . . . 25.0 105.063 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -111.26 151.03 28.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.92 1.081 . . . . 50.0 113.92 -170.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -119.39 109.36 15.67 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.49 100.73 7.19 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 -171.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.29 145.36 24.51 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.215 -0.928 . . . . 25.0 110.584 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -5.29 1.31 Allowed Glycine 0 C--O 1.227 -0.328 0 N-CA-C 116.867 1.507 . . . . 25.0 116.867 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 32.45 -128.61 0.28 Allowed Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 119.989 2.756 . . . . 25.0 119.989 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.01 143.04 44.68 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 109.598 -3.301 . . . . 25.0 111.488 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.95 160.02 32.68 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 115.406 0.922 . . . . 25.0 115.406 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.13 67.67 8.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.594 -1.261 . . . . 25.0 107.594 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -70.54 158.35 36.27 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.743 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.3 m -115.8 107.13 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -100.58 123.54 44.93 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 102.71 -3.07 . . . . 25.0 102.71 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.47 144.26 50.62 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 121.806 0.812 . . . . 25.0 112.089 -165.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -120.37 101.99 8.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.533 -1.212 . . . . 25.0 112.317 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.43 2.86 39.82 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.465 -2.42 . . . . 25.0 104.465 162.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.59 93.44 9.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.118 -1.401 . . . . 25.0 110.679 -175.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -85.35 -72.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -71.29 -17.93 62.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.701 1.239 . . . . 25.0 107.665 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -75.04 -10.05 59.11 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 114.004 -1.453 . . . . 25.0 112.239 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.42 33.4 4.31 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.03 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.06 165.48 11.14 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.82 157.04 47.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.8 p -150.55 167.43 27.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.26 65.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -6.09 49.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 25.0 112.057 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.25 147.5 4.54 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.563 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.93 142.52 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.96 92.08 3.52 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 103.395 -2.817 . . . . 25.0 103.395 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -121.92 176.92 5.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.919 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.65 110.27 15.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.7 104.14 16.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -84.28 126.07 40.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.8 165.08 11.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 21.77 80.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.828 2.159 . . . . 25.0 116.828 -173.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.5 41.14 1.46 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.009 -1.45 . . . . 25.0 114.456 -170.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -138.6 71.19 44.51 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 117.528 2.418 . . . . 25.0 117.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -88.28 21.41 1.01 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 N-CA-C 110.058 -0.785 . . . . 25.0 110.058 164.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.1 6.29 0.67 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.739 1.616 . . . . 25.0 114.57 -170.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -145.46 53.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.86 155.46 20.78 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.602 -1.999 . . . . 50.0 105.602 174.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -111.05 129.68 55.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.236 1.017 . . . . 25.0 113.371 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 tp -120.04 133.24 55.59 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 174.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -122.22 117.41 26.1 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.242 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.12 13.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.0 p -67.46 -26.97 66.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.051 -0.405 . . . . 25.0 111.85 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.2 -15.39 62.46 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.657 0.265 . . . . 25.0 111.531 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.67 -11.3 40.18 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.04 -51.31 4.4 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 -171.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 t80 66.56 168.53 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.085 1.354 . . . . 25.0 109.987 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -119.07 -31.69 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.6 177.79 15.17 Favored Glycine 0 CA--C 1.509 -0.339 0 N-CA-C 108.871 -1.692 . . . . 25.0 108.871 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.36 36.6 4.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.07 0.938 . . . . 25.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.56 56.81 3.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.64 1.016 . . . . 25.0 115.64 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 59.73 26.2 15.29 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.881 1.808 . . . . 25.0 115.881 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.55 83.13 Favored Glycine 0 C--O 1.229 -0.177 0 N-CA-C 117.992 1.957 . . . . 25.0 117.992 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -123.8 167.64 13.79 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.818 0.809 . . . . 25.0 109.558 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.43 38.9 28.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.835 0.854 . . . . 25.0 109.783 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.77 -11.58 26.43 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.373 -0.831 . . . . 25.0 115.137 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.4 p -75.65 172.54 12.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.724 0.762 . . . . 25.0 110.504 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.08 168.57 9.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.03 152.84 39.35 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.43 140.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t -145.51 151.18 37.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.793 -1.929 . . . . 25.0 105.793 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.94 133.25 63.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.038 -1.097 . . . . 25.0 108.038 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.69 122.11 39.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.717 -1.957 . . . . 25.0 105.717 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -78.99 -23.35 44.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.723 -173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.85 -26.4 65.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.76 0.79 . . . . 25.0 109.397 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.36 -9.4 50.96 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.159 -1.176 . . . . 25.0 110.159 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.45 31.56 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.309 1.044 . . . . 25.0 111.351 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -130.25 149.13 52.08 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.2 t -118.1 103.9 10.32 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 103.841 -2.652 . . . . 25.0 103.841 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -88.19 140.61 29.3 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 111.163 -2.744 . . . . 25.0 109.252 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -127.87 122.43 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -157.82 167.0 31.25 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 t -114.3 153.51 29.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 103.69 -2.707 . . . . 25.0 103.69 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 3.24 2.65 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.3 -32.4 73.35 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.579 0.704 . . . . 25.0 110.581 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.7 p -135.14 139.85 44.95 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 104.697 -2.335 . . . . 25.0 104.697 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -113.05 -73.8 0.65 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.918 -1.037 . . . . 25.0 113.554 -174.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.74 -38.22 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.094 0.949 . . . . 25.0 108.693 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.4 mp0 -67.47 -30.53 70.26 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 113.973 -1.467 . . . . 25.0 110.429 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.42 64.34 0.54 Allowed Glycine 0 CA--C 1.501 -0.788 0 N-CA-C 106.66 -2.576 . . . . 25.0 106.66 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 119.82 10.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.339 1.066 . . . . 25.0 108.396 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.4 p -120.15 166.09 13.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.838 -1.983 . . . . 25.0 110.844 -160.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -64.56 148.55 50.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.34 125.6 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.683 -1.228 . . . . 25.0 107.683 171.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.7 m -138.66 165.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -145.55 148.69 33.46 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 tt -133.16 129.58 38.03 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.488 -1.301 . . . . 25.0 107.488 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -79.6 115.64 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.62 179.47 19.46 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 106.047 -2.821 . . . . 25.0 106.047 -174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.54 35.98 4.74 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 -176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 17.86 0.06 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 122.126 0.965 . . . . 25.0 113.415 -176.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.71 64.97 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.118 -1.808 . . . . 25.0 106.118 170.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.31 -6.85 57.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.259 -0.882 . . . . 25.0 109.457 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.4 42.36 3.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.373 0.606 . . . . 25.0 110.265 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.65 124.55 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.6 p -162.39 165.91 25.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.57 67.72 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.092 0.472 . . . . 25.0 110.878 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.48 -31.55 65.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.998 -0.438 . . . . 25.0 109.976 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.84 -41.28 44.72 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.039 0.381 . . . . 25.0 111.773 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mt -128.96 124.91 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.772 -0.58 . . . . 25.0 112.545 -175.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.05 167.27 22.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.76 32.54 4.35 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.337 0.589 . . . . 25.0 111.319 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.25 149.28 42.45 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 107.052 -1.462 . . . . 25.0 107.052 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.32 -11.13 26.49 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.331 -1.313 . . . . 25.0 113.278 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.32 128.26 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.33 175.17 10.38 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.91 -0.927 . . . . 25.0 113.88 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 116.737 -1.602 . . . . 25.0 106.858 177.176 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.209 -0.424 . . . . 25.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.83 -19.0 67.49 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 114.806 -2.996 . . . . 25.0 115.427 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -74.15 -37.0 64.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.61 0.641 . . . . 25.0 110.949 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.87 138.0 7.87 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.103 0.561 . . . . 25.0 109.77 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -107.79 13.65 26.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.86 44.69 22.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.016 0.926 . . . . 25.0 110.563 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -64.37 116.65 30.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.252 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.31 144.73 98.71 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 115.003 -2.865 . . . . 25.0 115.027 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.32 131.92 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -85.33 114.04 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.033 1.397 . . . . 25.0 107.904 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.18 -136.31 1.91 Allowed Glycine 0 C--N 1.314 -0.665 0 CA-C-N 112.921 -1.945 . . . . 25.0 109.856 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -131.19 170.52 14.46 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.187 -0.596 . . . . 25.0 110.016 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -87.74 4.42 44.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.633 0.73 . . . . 25.0 109.299 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -80.19 175.65 10.46 Favored 'General case' 0 C--O 1.251 1.158 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 170.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -68.76 101.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 173.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.82 119.46 23.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -109.19 95.07 5.38 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 102.956 -2.979 . . . . 25.0 102.956 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -140.95 153.84 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.97 149.6 50.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.825 0.821 . . . . 25.0 111.202 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.82 -39.32 2.04 Favored Glycine 0 CA--C 1.5 -0.879 0 CA-C-N 114.06 -1.427 . . . . 25.0 111.338 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 p 48.22 -145.46 0.33 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.209 -0.995 . . . . 25.0 111.214 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.77 -7.16 6.99 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 138.38 58.25 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.3 3.12 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 110.525 -1.03 . . . . 25.0 110.525 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -152.26 149.56 28.84 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 104.795 -2.298 . . . . 25.0 104.795 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.308 2.2 tp10 -140.65 156.51 46.22 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.469 1.655 . . . . 75.0 115.469 -168.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.65 140.68 15.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.646 -1.161 . . . . 25.0 113.363 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -115.34 149.94 37.09 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 105.145 -2.168 . . . . 25.0 105.145 171.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.38 74.7 0.05 OUTLIER Glycine 0 N--CA 1.469 0.867 0 CA-C-N 119.674 1.125 . . . . 25.0 114.033 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -33.41 -74.13 0.07 OUTLIER Glycine 0 C--O 1.235 0.213 0 N-CA-C 120.632 3.013 . . . . 25.0 120.632 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.19 -176.07 10.33 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.498 1.055 . . . . 25.0 115.083 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.53 169.23 8.09 Favored Glycine 0 C--N 1.314 -0.67 0 N-CA-C 116.521 1.368 . . . . 25.0 116.521 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.7 81.8 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.89 148.76 38.04 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.17 104.35 7.01 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.161 -2.163 . . . . 25.0 105.161 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.49 120.43 28.3 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.22 136.27 50.55 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.91 -3.86 4.36 Favored Glycine 0 C--O 1.212 -1.248 0 C-N-CA 120.169 -1.015 . . . . 25.0 114.7 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 16.58 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.84 167.03 54.67 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 116.108 1.203 . . . . 25.0 116.108 -174.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.33 163.52 26.19 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 117.845 0.823 . . . . 25.0 113.082 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.66 132.97 12.44 Favored Glycine 0 C--O 1.216 -1.006 0 N-CA-C 106.594 -2.602 . . . . 25.0 106.594 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -129.0 154.85 46.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.295 1.548 . . . . 50.0 110.794 -167.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.85 98.02 3.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.02 140.85 52.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.737 -0.665 . . . . 25.0 111.76 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.14 160.35 41.08 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.65 33.57 1.18 Allowed Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.144 -1.027 . . . . 25.0 113.888 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.95 -127.71 0.01 OUTLIER Glycine 0 C--O 1.238 0.357 0 N-CA-C 120.623 3.009 . . . . 25.0 120.623 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 146.53 52.9 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 112.157 -2.021 . . . . 25.0 112.649 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -172.06 24.68 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 113.647 -1.615 . . . . 25.0 115.886 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -101.92 110.51 22.5 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 103.39 -2.819 . . . . 25.0 103.39 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -119.29 155.84 31.07 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -122.77 107.01 11.43 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.59 109.45 15.26 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.56 143.45 33.7 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.4 -0.812 . . . . 25.0 110.09 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.48 -11.38 1.73 Allowed Glycine 0 C--O 1.222 -0.624 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.36 -128.98 7.11 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-O 125.745 2.858 . . . . 25.0 118.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -60.54 144.21 52.01 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 109.093 -3.554 . . . . 25.0 111.175 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.35 161.31 35.79 Favored Glycine 0 C--O 1.244 0.761 0 N-CA-C 115.669 1.028 . . . . 25.0 115.669 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.24 67.51 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.75 154.6 41.75 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.769 -1.559 . . . . 50.0 109.401 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -113.91 108.79 17.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -97.2 127.94 43.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 104.176 -2.528 . . . . 25.0 104.176 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -115.35 134.63 54.93 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.47 0.652 . . . . 25.0 111.485 -165.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -120.48 98.74 6.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.471 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.07 4.09 36.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.759 -2.311 . . . . 25.0 104.759 165.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.35 93.02 8.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.205 -1.361 . . . . 25.0 110.794 -175.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -84.41 -72.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.42 -19.36 62.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.795 1.283 . . . . 25.0 107.844 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -76.57 -9.19 58.48 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 114.081 -1.418 . . . . 25.0 112.235 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -130.16 33.29 4.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.769 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -101.99 165.43 11.18 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -136.66 156.3 48.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.294 1.22 . . . . 25.0 114.294 178.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.51 167.45 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 171.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.27 64.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.66 -6.25 49.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.802 0.811 . . . . 25.0 111.992 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.48 147.14 4.46 Favored Glycine 0 C--N 1.316 -0.555 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.295 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 1.7 p -118.56 142.86 47.21 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -123.78 92.17 3.62 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 103.074 -2.935 . . . . 25.0 103.074 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 p -126.59 166.43 17.32 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.728 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.23 105.11 17.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.628 -1.249 . . . . 25.0 107.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.57 124.02 39.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 106.997 -1.482 . . . . 25.0 106.997 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.8 mt -101.87 165.74 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 22.31 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.57 42.91 1.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 115.545 1.683 . . . . 25.0 115.545 -170.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -140.29 71.41 33.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.942 2.571 . . . . 25.0 117.942 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.64 21.88 0.98 Allowed 'Trans proline' 0 CA--C 1.541 0.843 0 N-CA-C 110.135 -0.756 . . . . 25.0 110.135 163.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 59.3 3.91 0.42 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.855 1.662 . . . . 25.0 115.098 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -138.67 32.85 2.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.305 0.642 . . . . 25.0 110.901 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.21 155.14 20.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 50.0 106.962 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -111.31 131.08 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.202 1.001 . . . . 25.0 113.327 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 tp -121.71 130.48 53.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.13 111.64 19.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.623 -0.262 . . . . 25.0 110.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.13 14.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -67.78 -26.18 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.98 -0.45 . . . . 25.0 111.111 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.66 -17.32 62.85 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.665 0.269 . . . . 25.0 111.491 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 mt -89.85 -13.42 36.53 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.02 -51.14 4.51 Favored Glycine 0 C--O 1.236 0.22 0 N-CA-C 108.95 -1.66 . . . . 25.0 108.95 -170.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 67.26 168.89 0.25 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.216 1.406 . . . . 25.0 109.236 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -121.26 -23.37 5.75 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.97 179.88 16.11 Favored Glycine 0 CA--C 1.508 -0.382 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.76 38.42 4.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 122.096 0.95 . . . . 25.0 111.694 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.41 57.01 4.45 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.334 -0.848 . . . . 25.0 114.956 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 58.82 28.36 17.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.21 8.23 83.97 Favored Glycine 0 N--CA 1.458 0.102 0 N-CA-C 117.802 1.881 . . . . 25.0 117.802 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -125.72 168.61 13.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.775 0.788 . . . . 25.0 109.399 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.11 37.69 26.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.92 0.888 . . . . 25.0 109.493 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.51 -15.04 10.11 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 115.421 0.929 . . . . 25.0 115.421 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -72.79 171.91 11.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.608 0.704 . . . . 25.0 110.466 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.31 169.24 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.82 152.85 39.09 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.3 144.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.1 t -146.91 150.96 36.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.899 . . . . 25.0 105.871 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.78 131.79 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.99 122.28 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -76.54 -29.18 56.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.098 0.475 . . . . 25.0 111.28 -175.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -67.97 -26.7 66.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.414 0.626 . . . . 25.0 109.908 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.31 -9.89 52.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.691 -0.964 . . . . 25.0 110.691 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 52.25 33.29 12.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.131 0.972 . . . . 25.0 111.212 -175.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -132.43 155.95 47.57 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.481 -0.781 . . . . 25.0 112.775 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.5 t -128.42 109.43 11.41 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.421 -2.807 . . . . 25.0 103.421 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -93.95 142.55 27.25 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.882 -2.417 . . . . 25.0 109.288 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.36 124.03 29.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -157.56 168.07 28.35 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.1 t -115.59 153.44 31.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.09 4.81 2.28 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.92 -33.51 75.99 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.63 0.729 . . . . 25.0 110.945 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 33.0 p -135.11 140.74 45.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -111.13 -74.7 0.63 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.902 -1.044 . . . . 25.0 113.577 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.89 -37.7 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.673 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.51 -30.2 69.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.102 -1.408 . . . . 25.0 110.482 -174.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.35 64.08 0.54 Allowed Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 106.889 -2.484 . . . . 25.0 106.889 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 119.96 11.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.43 1.109 . . . . 25.0 108.357 -177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.4 p -122.55 165.35 16.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 112.802 -1.999 . . . . 25.0 110.899 -160.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.73 147.61 45.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.67 127.41 18.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 171.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.03 165.87 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -144.65 147.34 32.96 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -132.86 130.58 39.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -80.29 112.12 17.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.04 179.48 23.15 Favored Glycine 0 N--CA 1.436 -1.329 0 N-CA-C 106.614 -2.594 . . . . 25.0 106.614 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.84 32.04 6.25 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 17.03 0.07 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.31 65.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.77 -8.14 56.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.47 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.71 41.75 3.4 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.115 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.29 119.59 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.5 p -161.23 165.36 29.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.47 67.68 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.03 0.443 . . . . 25.0 110.764 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -72.15 -31.48 66.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.039 -0.413 . . . . 25.0 110.108 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.1 0.409 . . . . 25.0 111.728 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.4 mt -128.11 122.21 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.754 -0.591 . . . . 25.0 112.269 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.4 tp -92.9 131.05 38.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -140.73 169.1 18.27 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.89 30.43 3.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.495 0.664 . . . . 25.0 110.884 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.99 150.18 36.94 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.53 -5.91 18.05 Favored 'Trans proline' 0 C--N 1.352 0.753 0 N-CA-C 114.497 0.922 . . . . 25.0 114.497 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.58 133.53 24.27 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.22 -176.24 2.59 Favored 'Trans proline' 0 C--O 1.243 0.756 0 N-CA-C 115.573 1.336 . . . . 25.0 115.573 -172.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 116.457 -1.735 . . . . 25.0 107.16 177.351 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.554 -0.165 . . . . 25.0 110.554 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.29 -16.02 43.24 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 116.043 -2.171 . . . . 25.0 113.561 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -40.73 61.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.506 0.193 . . . . 25.0 110.906 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.88 142.46 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -114.5 20.22 15.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.67 44.61 26.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.985 0.914 . . . . 25.0 110.92 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -63.87 117.39 35.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.49 141.9 96.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 115.584 -2.477 . . . . 25.0 114.812 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mt -82.1 133.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.32 112.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 122.77 1.271 . . . . 25.0 107.769 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.65 -136.95 3.11 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.414 -1.721 . . . . 25.0 110.54 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -130.93 166.39 21.04 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.35 -0.5 . . . . 25.0 110.301 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.96 3.54 45.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.452 0.644 . . . . 25.0 109.915 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.25 174.02 11.99 Favored 'General case' 0 C--O 1.251 1.139 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.46 101.33 1.22 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -81.52 120.71 25.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -108.77 94.88 5.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 102.85 -3.018 . . . . 25.0 102.85 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -140.94 153.43 45.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.9 148.25 49.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.342 0.592 . . . . 25.0 111.401 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.43 -39.43 1.78 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 109.552 -1.419 . . . . 25.0 109.552 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p 48.38 -147.87 0.24 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.115 -1.043 . . . . 25.0 111.364 -176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.94 -6.71 9.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.279 1.955 . . . . 25.0 116.279 -169.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.13 58.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 173.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.67 44.76 3.0 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.369 -1.093 . . . . 25.0 110.369 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -148.65 147.43 28.92 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 2.8 tp10 -140.94 153.99 45.88 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 115.877 1.806 . . . . 75.0 115.877 -174.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.11 137.79 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 125.484 1.514 . . . . 25.0 111.368 -165.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -105.33 148.36 27.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 104.333 -2.469 . . . . 25.0 104.333 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 68.09 0.08 OUTLIER Glycine 0 N--CA 1.466 0.648 0 C-N-CA 119.964 -1.112 . . . . 25.0 114.238 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' ' HA3' ' A' ' 48' ' ' GLY . . . -29.79 -75.61 0.03 OUTLIER Glycine 0 C--O 1.238 0.383 0 N-CA-C 120.102 2.801 . . . . 25.0 120.102 -168.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.62 -177.77 11.41 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 122.74 1.189 . . . . 25.0 114.41 -173.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.67 164.83 4.45 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.65 81.18 5.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -77.35 150.28 35.18 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -170.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -129.37 104.05 7.27 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -124.86 119.39 28.71 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 -170.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -106.42 135.98 46.97 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.16 -4.3 3.3 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 120.775 -0.726 . . . . 25.0 114.056 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 17.26 -103.76 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.652 3.205 . . . . 25.0 119.652 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.6 171.12 53.5 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 116.17 1.228 . . . . 25.0 116.17 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.79 164.59 33.83 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.377 -0.689 . . . . 25.0 111.377 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.32 131.76 10.77 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 106.959 -2.456 . . . . 25.0 106.959 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -127.33 155.21 43.93 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.556 0.678 . . . . 50.0 110.58 -165.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 28.0 mt -138.45 97.84 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -125.1 134.46 52.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.015 0.436 . . . . 25.0 111.501 -169.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -128.91 123.23 32.07 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.54 -20.5 58.32 Favored Glycine 0 C--O 1.229 -0.208 0 N-CA-C 115.927 1.131 . . . . 25.0 115.927 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.416 ' HA3' ' HA2' ' A' ' 30' ' ' GLY . . . 63.05 -155.47 42.6 Favored Glycine 0 N--CA 1.425 -2.099 0 CA-C-O 125.222 2.568 . . . . 25.0 112.812 -178.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 147.49 35.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 109.595 -3.302 . . . . 25.0 112.502 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.05 -172.61 30.95 Favored Glycine 0 C--N 1.314 -0.667 0 CA-C-N 113.512 -1.677 . . . . 25.0 115.502 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.32 106.59 18.89 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -113.3 153.55 28.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.967 -1.015 . . . . 50.0 113.646 -171.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -119.98 109.41 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -121.17 101.64 7.79 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.28 144.39 27.12 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.234 -0.916 . . . . 25.0 110.959 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.21 8.0 1.88 Allowed Glycine 0 N--CA 1.464 0.533 0 N-CA-C 117.613 1.805 . . . . 25.0 117.613 -175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 21.4 -123.61 0.01 OUTLIER Glycine 0 C--O 1.241 0.551 0 N-CA-C 121.006 3.162 . . . . 25.0 121.006 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.45 145.27 48.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 111.07 -2.565 . . . . 25.0 110.52 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.56 156.58 28.61 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 114.485 0.554 . . . . 25.0 114.485 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.71 71.37 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.962 -1.866 . . . . 25.0 105.962 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.6 159.38 33.18 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.415 -1.72 . . . . 50.0 110.328 -174.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -114.98 96.59 5.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -89.0 123.06 32.97 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 103.295 -2.854 . . . . 25.0 103.295 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -115.63 139.23 50.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.862 0.839 . . . . 25.0 112.096 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -122.72 102.12 7.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.937 -1.028 . . . . 25.0 111.498 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.27 3.5 35.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 163.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 90.35 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.147 -1.388 . . . . 25.0 112.123 -173.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -82.36 -71.28 0.49 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -67.35 -22.26 65.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.692 1.234 . . . . 25.0 108.867 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -76.59 -7.45 55.24 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 114.263 -1.335 . . . . 25.0 112.104 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -134.55 36.66 3.14 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.742 -0.663 . . . . 25.0 110.072 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -102.06 166.05 10.83 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -135.49 153.03 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 177.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.3 p -150.92 167.97 25.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.779 -1.934 . . . . 25.0 105.779 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.67 -25.52 65.74 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.95 50.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 25.0 111.871 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.08 150.21 5.14 Favored Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.2 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -116.92 138.53 51.47 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -124.71 92.07 3.57 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 p -124.47 175.56 7.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.659 -0.7 . . . . 25.0 110.344 -170.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -119.49 111.89 18.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.08 104.58 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.0 mt -85.43 121.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.514 . . . . 25.0 106.914 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.59 158.83 15.8 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.393 -0.225 . . . . 25.0 110.393 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.57 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 122.993 1.377 . . . . 25.0 114.23 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -149.78 42.29 0.87 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.224 1.565 . . . . 25.0 115.224 -169.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 70.1 41.47 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.192 2.293 . . . . 25.0 117.192 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.6 21.31 1.09 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 N-CA-C 110.241 -0.715 . . . . 25.0 110.241 166.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.57 5.83 0.51 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.749 1.62 . . . . 25.0 115.248 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -139.7 29.49 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.243 0.617 . . . . 25.0 111.342 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.67 155.65 21.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 175.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -111.63 123.13 49.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.384 1.088 . . . . 25.0 111.502 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -106.69 115.3 29.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.176 -1.787 . . . . 25.0 106.176 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.09 113.41 26.63 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.966 -0.459 . . . . 25.0 110.648 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.42 14.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.4 p -67.27 -29.04 68.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.933 -0.48 . . . . 25.0 111.013 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.06 -15.59 62.02 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.4 -17.28 37.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.822 -0.807 . . . . 25.0 108.822 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.23 -50.41 4.25 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 108.557 -1.817 . . . . 25.0 108.557 -168.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 t80 66.43 170.73 0.24 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.9 1.28 . . . . 25.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.8 p -118.24 -35.03 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.74 18.9 Favored Glycine 0 CA--C 1.507 -0.441 0 N-CA-C 110.37 -1.092 . . . . 25.0 110.37 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.56 130.34 56.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.07 43.54 0.2 Allowed Glycine 0 C--O 1.221 -0.697 0 C-N-CA 120.83 -0.7 . . . . 25.0 111.789 -175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 58.89 26.04 14.4 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.47 8.18 83.6 Favored Glycine 0 C--N 1.328 0.11 0 N-CA-C 117.373 1.709 . . . . 25.0 117.373 169.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -123.57 169.52 11.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.999 0.9 . . . . 25.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.6 36.67 27.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.902 0.881 . . . . 25.0 109.621 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.15 -14.52 7.95 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.8 p -73.45 172.09 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.661 0.73 . . . . 25.0 110.542 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -104.04 168.53 9.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.532 0.682 . . . . 25.0 109.979 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -121.11 152.85 38.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.1 140.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -146.56 136.58 23.46 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.82 126.94 72.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 p -120.83 127.41 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -75.84 -19.81 58.62 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -66.8 -26.97 67.2 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.653 0.739 . . . . 25.0 109.961 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.54 -8.7 34.69 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.184 -1.166 . . . . 25.0 110.184 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 51.54 35.11 13.73 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.115 0.966 . . . . 25.0 110.569 -175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -128.56 147.27 50.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.36 -0.837 . . . . 25.0 112.979 -173.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.2 t -116.7 101.62 8.73 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -88.07 145.92 25.72 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 111.654 -2.521 . . . . 25.0 108.89 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.06 127.94 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -157.99 168.03 28.27 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 t -118.96 151.89 37.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 102.372 -3.195 . . . . 25.0 102.372 175.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.91 6.51 2.0 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 -175.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.72 -32.92 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.556 0.693 . . . . 25.0 111.057 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.5 p -133.79 139.52 46.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.18 -75.96 0.58 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.952 -1.476 . . . . 25.0 110.617 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.36 -29.13 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 17.4 mp0 -76.56 -24.23 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.203 -1.362 . . . . 25.0 110.545 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.79 77.75 0.11 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.161 -1.575 . . . . 25.0 109.161 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 125.02 23.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.8 p -123.17 165.97 15.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.464 -1.698 . . . . 25.0 111.53 -160.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.14 147.31 40.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -144.69 126.83 15.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.91 164.36 25.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.1 t -146.28 145.17 30.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.33 132.33 41.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.86 113.24 18.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.33 179.41 26.09 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 106.5 -2.64 . . . . 25.0 106.5 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -120.98 30.22 6.97 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 16.76 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.69 66.49 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.103 -1.814 . . . . 25.0 106.103 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.08 -7.35 56.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.331 -0.85 . . . . 25.0 109.478 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.25 41.73 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.21 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.17 121.05 23.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 88.5 p -160.78 165.79 29.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.5 67.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.22 0.533 . . . . 25.0 111.105 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.25 -32.86 64.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.946 -0.471 . . . . 25.0 109.952 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.26 -38.84 50.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.3 mt -129.67 123.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 121.742 -0.599 . . . . 25.0 111.432 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -95.41 128.46 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -140.5 168.48 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.81 31.56 3.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.306 0.574 . . . . 25.0 111.125 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.12 151.38 37.37 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.64 -0.93 9.56 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.73 135.28 27.24 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 106.014 -1.847 . . . . 25.0 106.014 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.83 -176.97 2.59 Favored 'Trans proline' 0 C--O 1.241 0.653 0 N-CA-C 115.273 1.22 . . . . 25.0 115.273 -174.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.029 -1.462 . . . . 25.0 107.981 178.517 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 110.54 -0.17 . . . . 25.0 110.54 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.1 -13.17 37.36 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 116.736 -1.709 . . . . 25.0 114.146 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -53.84 9.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 174.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.94 156.83 22.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.291 -1.374 . . . . 25.0 107.291 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.44 23.31 5.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.33 42.93 27.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.535 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -70.4 120.38 78.2 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.68 144.53 94.2 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 114.645 -3.103 . . . . 25.0 115.662 -174.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.11 131.74 33.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 105.858 -1.905 . . . . 25.0 105.858 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -88.13 115.32 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-O 123.018 1.39 . . . . 25.0 107.358 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.09 -139.09 3.43 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 112.973 -1.921 . . . . 25.0 110.504 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -119.42 162.95 17.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.044 0.45 . . . . 25.0 110.505 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -86.48 3.02 45.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 25.0 109.828 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.83 177.18 9.02 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 170.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.55 111.31 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -88.61 124.34 33.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -111.92 95.19 5.34 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 102.592 -3.114 . . . . 25.0 102.592 165.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.1 mt -140.95 153.83 45.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -129.88 150.21 51.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.951 0.881 . . . . 25.0 111.339 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.432 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.92 -38.92 2.25 Favored Glycine 0 CA--C 1.494 -1.259 0 CA-C-N 113.944 -1.48 . . . . 25.0 111.428 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 p 46.75 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.697 -1.251 . . . . 25.0 111.566 -176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.27 -10.51 11.15 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 137.81 58.07 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 175.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.41 3.17 Favored Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.567 -1.013 . . . . 25.0 110.567 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -148.01 151.37 35.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 44' ' ' LEU . 3.5 tp10 -141.11 153.98 45.69 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 113.536 0.939 . . . . 75.0 113.536 -174.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.407 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -97.49 137.18 25.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.888 -1.506 . . . . 25.0 110.429 -163.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 t -111.92 147.45 35.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.44 73.8 0.12 Allowed Glycine 0 C--N 1.318 -0.447 0 C-N-CA 119.872 -1.156 . . . . 25.0 112.685 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.37 -76.06 0.03 OUTLIER Glycine 0 C--O 1.236 0.279 0 N-CA-C 119.475 2.55 . . . . 25.0 119.475 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.67 -176.07 11.38 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-O 122.642 1.135 . . . . 25.0 113.867 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.35 165.07 4.22 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 116.984 1.553 . . . . 25.0 116.984 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 81.6 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -78.85 152.89 31.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -130.34 104.11 7.08 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.81 121.26 31.4 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 -170.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.59 136.33 50.93 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.57 -5.41 5.01 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-O 118.907 -0.941 . . . . 25.0 115.059 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 19.62 -98.86 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.22 166.98 54.03 Favored Glycine 0 C--O 1.256 1.479 0 CA-C-O 122.901 1.278 . . . . 25.0 115.427 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.79 167.5 35.08 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 113.801 -1.2 . . . . 25.0 110.737 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.48 136.34 19.96 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 106.797 -2.521 . . . . 25.0 106.797 170.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -127.87 155.74 43.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.194 0.497 . . . . 50.0 110.096 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 2.6 mt -143.97 98.13 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.65 133.11 55.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -168.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' CG ' ' HE ' ' A' ' 64' ' ' ARG . 2.6 m-20 -118.61 118.36 31.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 171.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.23 -23.22 52.39 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.16 -158.29 38.62 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-O 125.586 2.77 . . . . 25.0 114.221 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.59 149.03 36.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 109.283 -3.459 . . . . 25.0 111.8 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.21 -173.75 29.2 Favored Glycine 0 C--N 1.312 -0.797 0 CA-C-N 113.575 -1.648 . . . . 25.0 115.043 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -98.28 104.05 16.05 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.015 -2.217 . . . . 25.0 105.015 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -112.16 147.45 36.12 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -113.69 109.52 18.72 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.1 mt -120.68 103.03 8.8 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 119.825 -0.131 . . . . 25.0 111.087 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.79 139.38 36.56 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.381 -0.824 . . . . 25.0 109.953 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -126.52 -16.88 2.46 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.951 1.54 . . . . 25.0 116.951 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.84 -133.49 36.11 Favored Glycine 0 N--CA 1.433 -1.522 0 CA-C-O 126.199 3.11 . . . . 25.0 117.168 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.96 145.62 52.4 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 108.322 -3.939 . . . . 25.0 110.753 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.44 162.05 36.08 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.456 0.942 . . . . 25.0 115.456 174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.98 67.1 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -68.16 153.02 44.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.856 -1.52 . . . . 50.0 109.603 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -112.57 105.54 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -99.59 121.0 40.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 102.951 -2.981 . . . . 25.0 102.951 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HE ' ' CG ' ' A' ' 46' ' ' ASP . 39.2 ptt180 -118.62 145.41 45.45 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.834 0.826 . . . . 25.0 112.084 -166.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -122.47 100.54 6.99 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.43 -1.259 . . . . 25.0 111.214 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.32 1.5 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.078 -2.564 . . . . 25.0 104.078 161.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.66 90.32 8.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.179 -1.373 . . . . 25.0 110.869 -175.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -86.83 -72.0 0.53 Allowed 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.13 -17.81 63.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.522 1.154 . . . . 25.0 108.234 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -74.42 -7.06 51.68 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-N 114.457 -1.247 . . . . 25.0 111.881 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -131.6 35.43 3.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.337 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.0 164.5 11.68 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.07 151.46 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.0 p -150.85 171.22 17.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.74 66.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.98 -6.79 54.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.706 0.765 . . . . 25.0 112.023 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.42 151.36 5.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.841 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 p -118.83 140.21 50.33 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 122.285 -0.538 . . . . 25.0 109.967 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -123.29 92.11 3.62 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 102.851 -3.018 . . . . 25.0 102.851 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 p -123.73 177.81 5.53 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.164 -169.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.1 124.99 45.21 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mp -107.37 104.44 14.03 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -87.23 119.78 35.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -101.7 159.65 15.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 32.83 80.9 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.98 43.86 0.98 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -142.93 72.91 18.79 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 118.411 2.745 . . . . 25.0 118.411 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -88.12 22.17 0.92 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 N-CA-C 110.438 -0.639 . . . . 25.0 110.438 164.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.71 6.12 0.81 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.77 1.628 . . . . 25.0 114.525 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -145.32 54.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 154.77 21.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 174.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -111.21 128.95 56.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.39 1.091 . . . . 25.0 113.421 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.09 131.09 54.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.51 115.24 23.05 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.176 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.4 14.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.6 p -66.83 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.014 -0.429 . . . . 25.0 111.578 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.75 -14.26 61.95 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.77 0.285 . . . . 25.0 111.77 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.1 -14.19 39.46 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.11 -51.39 4.4 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 108.818 -1.713 . . . . 25.0 108.818 -169.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 66.24 170.15 0.23 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.928 1.291 . . . . 25.0 109.192 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.5 p -121.2 -32.78 3.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.6 178.05 15.66 Favored Glycine 0 CA--C 1.508 -0.365 0 N-CA-C 108.423 -1.871 . . . . 25.0 108.423 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 tp -122.44 36.33 4.66 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.956 0.884 . . . . 25.0 111.584 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.99 56.46 3.93 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.644 1.018 . . . . 25.0 115.644 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 59.32 26.69 15.58 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.85 7.01 84.63 Favored Glycine 0 CA--C 1.512 -0.102 0 N-CA-C 117.855 1.902 . . . . 25.0 117.855 167.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -123.79 168.68 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.719 0.759 . . . . 25.0 109.557 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.64 37.78 27.51 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.82 0.848 . . . . 25.0 109.661 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.96 -10.45 26.27 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -76.86 172.33 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.778 0.789 . . . . 25.0 110.263 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.44 168.21 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.55 152.87 37.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.8 p -115.88 140.67 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -144.36 134.44 24.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 126.28 71.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 p -120.68 129.89 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 -25.5 59.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -68.83 -25.78 64.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.622 0.725 . . . . 25.0 110.029 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.48 -14.4 38.2 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.83 33.56 14.54 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.243 1.021 . . . . 25.0 110.184 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -131.83 151.33 51.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.543 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -120.86 102.81 8.61 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 104.162 -2.533 . . . . 25.0 104.162 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -88.3 142.14 27.98 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 111.888 -2.415 . . . . 25.0 109.058 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.48 122.7 26.64 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -157.79 167.26 30.55 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 t -117.53 149.98 39.71 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.974 -2.973 . . . . 25.0 102.974 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.87 4.7 2.56 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.73 -34.1 77.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 111.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.0 p -135.41 138.63 43.46 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 105.754 -1.943 . . . . 25.0 105.754 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -126.29 -63.93 1.07 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.305 -1.316 . . . . 25.0 111.361 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.84 -28.76 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 17.6 mp0 -77.0 -24.13 52.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.11 -1.405 . . . . 25.0 110.458 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -167.8 80.44 0.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 106.231 -2.748 . . . . 25.0 106.231 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 118.94 9.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 122.955 1.36 . . . . 25.0 109.144 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -179.37 5.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 112.211 -2.268 . . . . 25.0 110.148 -164.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -104.92 154.91 19.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.573 0.225 . . . . 25.0 110.977 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.82 129.33 16.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.695 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.86 164.02 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 93.0 p -146.67 152.7 39.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.54 133.62 38.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.87 111.93 18.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 150.0 177.8 24.34 Favored Glycine 0 N--CA 1.438 -1.207 0 N-CA-C 106.764 -2.534 . . . . 25.0 106.764 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.29 28.72 8.05 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 15.85 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.9 -29.35 63.08 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.13 -8.86 57.75 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.403 -0.817 . . . . 25.0 109.177 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.83 39.12 3.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.923 -0.581 . . . . 25.0 109.967 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.03 117.82 16.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.1 p -160.12 164.77 32.72 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.198 0.523 . . . . 25.0 110.852 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.35 -33.36 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.131 -0.356 . . . . 25.0 110.235 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -77.79 -41.46 37.24 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.267 0.469 . . . . 25.0 112.267 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.44 123.73 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.858 -0.526 . . . . 25.0 112.304 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.76 132.08 42.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -140.95 168.58 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.3 31.55 3.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 111.41 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.78 149.96 36.61 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.71 0.65 7.92 Favored 'Trans proline' 0 C--N 1.353 0.796 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.9 p -124.97 134.33 25.6 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 105.13 -2.174 . . . . 25.0 105.13 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.99 -178.28 3.44 Favored 'Trans proline' 0 C--O 1.243 0.743 0 N-CA-C 115.355 1.252 . . . . 25.0 115.355 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 116.593 -1.67 . . . . 25.0 106.618 176.969 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.23 -13.55 38.17 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 116.316 -1.99 . . . . 25.0 114.026 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -52.4 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 25.0 110.345 175.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.78 157.44 26.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.24 27.9 5.56 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.503 -0.555 . . . . 25.0 109.503 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.44 38.85 30.04 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.827 0.851 . . . . 25.0 111.087 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -67.28 120.8 75.16 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -63.42 149.19 91.78 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 115.293 -2.671 . . . . 25.0 115.118 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.34 129.61 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.87 -1.9 . . . . 25.0 105.87 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.93 110.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 122.787 1.279 . . . . 25.0 108.078 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.77 -139.37 3.36 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 113.322 -1.763 . . . . 25.0 110.091 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -122.63 166.0 15.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.92 0.391 . . . . 25.0 110.258 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -85.98 2.4 46.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 25.0 109.636 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.72 175.95 10.23 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.21 112.48 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.742 -1.577 . . . . 25.0 106.742 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -89.7 136.27 33.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.2 95.08 4.55 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 102.533 -3.136 . . . . 25.0 102.533 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 mt -140.76 153.95 46.08 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -174.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -131.81 149.83 52.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.825 0.822 . . . . 25.0 111.786 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.15 -41.02 1.86 Allowed Glycine 0 CA--C 1.497 -1.053 0 CA-C-N 113.929 -1.487 . . . . 25.0 110.723 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.7 p 44.99 -145.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.849 -1.175 . . . . 25.0 111.399 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.57 -11.44 11.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -170.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.31 140.47 57.98 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.53 48.01 3.95 Favored Glycine 0 C--O 1.222 -0.611 0 N-CA-C 110.294 -1.122 . . . . 25.0 110.294 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 157.88 43.75 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.542 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.2 tp10 -140.9 -179.59 6.15 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.027 0.751 . . . . 75.0 113.027 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.542 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 23.7 mm -109.12 136.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.286 0.634 . . . . 25.0 111.393 -167.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -117.28 153.63 32.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 171.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.9 71.41 0.05 OUTLIER Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.108 -1.044 . . . . 25.0 112.285 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.52 -74.83 0.04 OUTLIER Glycine 0 C--O 1.237 0.289 0 N-CA-C 119.426 2.53 . . . . 25.0 119.426 -168.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.02 11.05 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-O 122.647 1.137 . . . . 25.0 113.884 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.7 164.05 4.14 Favored Glycine 0 C--N 1.31 -0.88 0 N-CA-C 116.98 1.552 . . . . 25.0 116.98 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.85 81.3 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -79.8 151.04 30.52 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.675 0.991 . . . . 50.0 113.675 -170.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -127.38 106.28 9.1 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 105.094 -2.187 . . . . 25.0 105.094 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.63 123.9 36.71 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 105.017 -2.216 . . . . 25.0 105.017 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -111.8 136.13 51.49 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.34 -11.05 1.38 Allowed Glycine 0 C--O 1.211 -1.295 0 N-CA-C 115.48 0.952 . . . . 25.0 115.48 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 19.09 -96.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.275 2.695 . . . . 25.0 118.275 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.93 167.77 54.53 Favored Glycine 0 C--O 1.257 1.587 0 CA-C-O 122.533 1.074 . . . . 25.0 115.625 -174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.53 166.05 34.03 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.196 -1.002 . . . . 25.0 110.675 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.27 132.19 11.88 Favored Glycine 0 C--N 1.317 -0.485 0 N-CA-C 106.887 -2.485 . . . . 25.0 106.887 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -127.1 156.17 42.15 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.919 0.36 . . . . 50.0 111.696 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -139.67 103.18 4.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.1 133.02 53.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -171.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.4 113.22 15.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.433 -1.691 . . . . 25.0 106.433 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.05 67.47 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.679 1.431 . . . . 25.0 116.679 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.25 -157.76 39.74 Favored Glycine 0 N--CA 1.425 -2.046 0 CA-C-O 125.41 2.672 . . . . 25.0 113.597 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 149.05 37.1 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 109.405 -3.397 . . . . 25.0 111.917 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.48 -174.73 28.59 Favored Glycine 0 C--N 1.313 -0.703 0 CA-C-N 113.521 -1.672 . . . . 25.0 114.988 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -97.57 104.37 16.39 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.599 -2.371 . . . . 25.0 104.599 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -111.57 149.38 31.52 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.765 1.024 . . . . 50.0 113.765 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -117.48 109.34 16.62 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.1 mt -121.69 99.47 6.48 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.548 0.574 . . . . 25.0 112.548 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.13 145.02 24.84 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.082 -1.011 . . . . 25.0 111.158 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.53 -2.14 1.55 Allowed Glycine 0 N--CA 1.464 0.56 0 N-CA-C 117.436 1.735 . . . . 25.0 117.436 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 29.81 -127.49 0.12 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 120.315 2.886 . . . . 25.0 120.315 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.47 143.57 39.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 109.859 -3.171 . . . . 25.0 111.442 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.46 161.42 33.7 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.09 68.32 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -72.29 156.02 39.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.953 -1.476 . . . . 50.0 109.911 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -112.07 108.66 18.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.642 0.734 . . . . 25.0 109.091 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -101.45 124.04 46.48 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 102.407 -3.183 . . . . 25.0 102.407 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -123.69 142.47 51.04 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.849 0.833 . . . . 25.0 111.834 -165.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.09 102.74 8.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.493 -1.23 . . . . 25.0 112.262 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.64 2.27 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.096 -2.557 . . . . 25.0 104.096 160.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 90.72 8.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.237 -1.347 . . . . 25.0 111.033 -175.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -86.67 -72.8 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.276 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.1 -17.98 63.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.631 1.205 . . . . 25.0 108.247 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.42 -9.83 59.1 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 114.253 -1.34 . . . . 25.0 111.733 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -131.82 40.74 3.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.384 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -102.46 164.41 11.68 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.67 151.58 46.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.8 p -150.84 169.45 21.65 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.406 -1.702 . . . . 25.0 106.406 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -25.11 66.97 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.3 -4.83 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.694 . . . . 25.0 112.176 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.59 154.25 6.09 Favored Glycine 0 C--N 1.317 -0.476 0 CA-C-N 115.209 -0.905 . . . . 25.0 113.588 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.65 140.15 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.75 92.28 3.57 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.338 -2.467 . . . . 25.0 104.338 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 p -120.57 178.87 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.997 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -120.35 110.31 16.39 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.51 104.73 16.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.9 mt -84.43 123.51 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.423 -1.325 . . . . 25.0 107.423 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.79 158.75 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 33.01 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.08 1.352 . . . . 25.0 114.53 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -150.53 44.47 0.86 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 115.729 1.751 . . . . 25.0 115.729 -169.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' HB2' ' HA3' ' A' ' 142' ' ' GLY . 41.3 t0 -141.72 72.53 24.45 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -87.13 21.79 1.01 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.466 -0.628 . . . . 25.0 110.466 164.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p 59.41 4.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 125.832 1.653 . . . . 25.0 114.983 -171.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -139.43 31.45 2.11 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.298 0.639 . . . . 25.0 110.802 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.85 155.91 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -111.16 130.62 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.224 1.012 . . . . 25.0 112.913 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -120.79 134.34 55.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 105.364 -2.087 . . . . 25.0 105.364 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -122.03 116.49 24.38 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.34 13.86 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -67.4 -27.63 67.24 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.935 -0.478 . . . . 25.0 111.356 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.07 -14.69 61.92 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.628 0.251 . . . . 25.0 111.648 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.64 -13.6 36.73 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 -51.43 4.5 Favored Glycine 0 C--O 1.237 0.318 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 -169.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.0 t80 67.08 169.04 0.25 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.192 1.397 . . . . 25.0 109.592 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.6 p -118.07 -32.66 4.67 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.13 177.88 15.33 Favored Glycine 0 CA--C 1.509 -0.344 0 N-CA-C 108.528 -1.829 . . . . 25.0 108.528 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.7 tp -122.33 40.12 3.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.048 0.928 . . . . 25.0 111.081 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.22 56.67 4.39 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 115.258 -0.883 . . . . 25.0 114.87 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 58.61 26.13 14.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.56 1.689 . . . . 25.0 115.56 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.76 7.51 84.07 Favored Glycine 0 CA--C 1.511 -0.16 0 N-CA-C 117.728 1.851 . . . . 25.0 117.728 168.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -121.48 167.86 12.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.06 0.93 . . . . 25.0 109.844 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.37 38.17 28.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.799 0.839 . . . . 25.0 109.921 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.23 -9.94 30.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 115.269 0.867 . . . . 25.0 115.269 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.3 p -76.72 171.89 13.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.727 0.763 . . . . 25.0 110.073 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.4 mp -104.3 168.92 8.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.8 152.77 41.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.37 141.2 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.4 t -146.22 149.26 33.58 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.591 -2.003 . . . . 25.0 105.591 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.67 131.51 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -121.0 122.28 39.8 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.87 -19.55 51.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.562 0.949 . . . . 25.0 113.562 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.59 -26.35 66.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.402 0.62 . . . . 25.0 109.988 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -105.91 -4.72 39.0 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.225 -1.15 . . . . 25.0 110.225 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.74 33.82 9.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.279 1.031 . . . . 25.0 111.635 -176.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -125.64 145.3 50.22 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -116.18 103.13 10.22 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 104.044 -2.576 . . . . 25.0 104.044 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -88.05 142.52 27.71 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 110.942 -2.844 . . . . 25.0 108.769 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.91 125.34 41.39 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -157.88 166.73 31.9 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -116.86 153.29 32.78 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 102.469 -3.16 . . . . 25.0 102.469 174.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.04 3.87 2.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.49 -33.42 75.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.491 0.663 . . . . 25.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.2 p -135.82 138.47 42.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.33 -72.44 0.52 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.033 -1.44 . . . . 25.0 110.01 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.08 59.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.3 mp0 -80.18 -22.21 42.18 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.163 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.11 81.5 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 108.458 -1.857 . . . . 25.0 108.458 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 119.82 10.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.697 1.237 . . . . 25.0 109.616 -174.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -179.85 5.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.299 -2.228 . . . . 25.0 111.406 -164.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -99.42 157.17 16.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.507 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -145.4 130.48 18.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.929 0.491 . . . . 25.0 109.893 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.22 165.94 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.3 t -146.74 148.24 31.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.46 131.14 39.55 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -81.26 110.08 16.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . 153.17 -178.47 30.21 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 106.584 -2.606 . . . . 25.0 106.584 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -122.75 32.31 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 16.83 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.59 64.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.4 -6.71 57.42 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.317 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.87 3.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.32 124.72 29.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.2 p -162.24 165.75 26.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.25 68.68 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.121 0.486 . . . . 25.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.51 -31.83 67.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.04 -0.413 . . . . 25.0 110.045 177.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.52 -42.43 43.23 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.076 -0.39 . . . . 25.0 111.801 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.8 mt -129.03 123.28 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.9 tp -93.59 131.62 38.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -140.06 168.71 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.75 31.46 3.34 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.315 0.579 . . . . 25.0 111.155 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.97 150.38 38.2 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.76 0.53 8.11 Favored 'Trans proline' 0 C--N 1.353 0.787 0 N-CA-C 115.106 1.156 . . . . 25.0 115.106 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 2.8 p -123.73 133.11 24.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.16 -178.22 3.45 Favored 'Trans proline' 0 C--O 1.243 0.765 0 N-CA-C 115.781 1.416 . . . . 25.0 115.781 -172.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.253 1.237 0 CA-C-O 116.64 -1.648 . . . . 25.0 107.051 178.255 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 110.453 -0.203 . . . . 25.0 110.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.92 -13.65 39.02 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 116.413 -1.925 . . . . 25.0 114.134 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.46 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 174.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.82 156.79 25.7 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -127.97 23.72 6.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.33 41.67 28.77 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.163 -176.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -63.85 127.84 92.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.87 131.34 39.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 116.291 -2.006 . . . . 25.0 114.323 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -82.03 129.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -84.3 112.3 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 123.191 1.472 . . . . 25.0 109.318 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.39 -137.18 2.16 Favored Glycine 0 C--N 1.312 -0.773 0 CA-C-N 112.735 -2.029 . . . . 25.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -125.48 164.03 21.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.235 -0.568 . . . . 25.0 110.255 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -86.7 3.51 44.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.464 0.65 . . . . 25.0 109.933 173.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -82.49 177.6 8.65 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -67.62 111.31 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -88.68 131.78 34.86 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -119.58 95.19 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 102.537 -3.134 . . . . 25.0 102.537 166.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.92 153.64 45.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -131.74 149.94 52.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.859 0.838 . . . . 25.0 111.847 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.8 -41.57 1.69 Allowed Glycine 0 CA--C 1.496 -1.102 0 CA-C-N 113.973 -1.467 . . . . 25.0 111.136 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 p 44.92 -141.16 0.28 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 113.858 -1.171 . . . . 25.0 110.864 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.16 -13.23 11.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.837 2.162 . . . . 25.0 116.837 -171.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 136.6 58.12 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.67 42.49 3.13 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.94 148.0 30.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 105.682 -1.969 . . . . 25.0 105.682 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 4.0 tp10 -139.79 154.19 47.32 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 115.852 1.797 . . . . 75.0 115.852 -173.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.51 139.36 17.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 113.848 -1.524 . . . . 25.0 113.071 -165.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.3 t -111.66 150.5 30.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.24 69.15 0.09 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 119.548 -1.311 . . . . 25.0 114.491 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.79 -75.71 0.03 OUTLIER Glycine 0 C--O 1.236 0.23 0 N-CA-C 119.797 2.679 . . . . 25.0 119.797 -168.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.78 -176.21 11.86 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 122.643 1.135 . . . . 25.0 114.196 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.0 169.25 4.81 Favored Glycine 0 C--N 1.311 -0.816 0 N-CA-C 117.177 1.631 . . . . 25.0 117.177 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.93 82.48 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.4 152.38 28.89 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -130.48 105.3 7.77 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.61 122.06 33.97 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 105.197 -2.149 . . . . 25.0 105.197 -170.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -112.77 135.98 52.9 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.5 -10.85 2.56 Favored Glycine 0 C--O 1.205 -1.69 0 N-CA-C 115.554 0.982 . . . . 25.0 115.554 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 20.41 -98.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 118.734 2.864 . . . . 25.0 118.734 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.65 164.69 54.7 Favored Glycine 0 C--O 1.247 0.944 0 O-C-N 120.782 -1.199 . . . . 25.0 115.965 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.28 168.59 33.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-O 121.782 0.657 . . . . 25.0 111.465 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.7 133.68 16.08 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 107.504 -2.238 . . . . 25.0 107.504 171.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -127.86 155.71 43.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.417 0.609 . . . . 50.0 110.165 -170.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.4 tt -143.65 98.41 3.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -124.07 145.01 49.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.501 -166.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.86 147.91 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 171.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.05 -27.22 7.48 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 115.693 1.037 . . . . 25.0 115.693 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.95 -157.99 45.42 Favored Glycine 0 N--CA 1.423 -2.172 0 CA-C-O 125.073 2.485 . . . . 25.0 111.606 -176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.85 148.03 31.53 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.752 -3.224 . . . . 25.0 111.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.11 -171.06 28.02 Favored Glycine 0 C--N 1.312 -0.787 0 CA-C-N 113.754 -1.566 . . . . 25.0 113.906 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -104.2 107.6 18.59 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 104.501 -2.407 . . . . 25.0 104.501 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -114.14 158.09 21.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -122.84 110.32 15.29 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -121.78 103.12 8.64 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 111.658 0.244 . . . . 25.0 111.658 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.05 144.3 27.7 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.137 -0.977 . . . . 25.0 110.901 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.0 -14.15 1.13 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 116.393 1.317 . . . . 25.0 116.393 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.48 -127.94 5.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 125.514 2.73 . . . . 25.0 118.266 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.12 144.01 41.83 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 109.166 -3.517 . . . . 25.0 111.61 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.62 162.4 38.2 Favored Glycine 0 C--O 1.245 0.796 0 N-CA-C 115.699 1.04 . . . . 25.0 115.699 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.46 67.88 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.63 154.09 41.43 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.983 -1.462 . . . . 50.0 109.422 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 m -114.42 96.6 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.718 0.77 . . . . 25.0 109.301 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.207 -2.146 . . . . 25.0 105.207 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -111.87 138.33 48.62 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.4 0.619 . . . . 25.0 111.008 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.07 95.54 4.65 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.246 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.5 4.16 40.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 166.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.38 94.81 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.081 -1.418 . . . . 25.0 110.46 -175.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -86.85 -73.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.255 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -69.31 -20.19 63.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.65 1.214 . . . . 25.0 108.205 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -74.99 -9.03 58.15 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.935 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 t -131.85 38.0 3.58 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.064 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.04 164.32 11.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -143.13 153.24 42.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.309 1.226 . . . . 25.0 114.309 -177.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.1 p -150.43 168.65 23.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.735 -2.32 . . . . 25.0 104.735 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.95 65.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.53 -5.45 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 25.0 112.03 178.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.93 148.43 4.74 Favored Glycine 0 C--N 1.315 -0.606 0 CA-C-N 115.115 -0.948 . . . . 25.0 113.893 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.3 p -118.89 141.11 48.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -125.43 91.96 3.52 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 103.7 -2.704 . . . . 25.0 103.7 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.5 p -123.74 -162.07 1.03 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.746 -0.661 . . . . 25.0 110.475 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.18 116.36 9.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.57 104.61 16.66 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -82.76 124.9 39.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -101.42 165.73 11.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 22.18 79.25 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.869 2.174 . . . . 25.0 116.869 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.94 40.28 1.51 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 113.644 -1.616 . . . . 25.0 114.524 -171.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -137.89 69.9 50.43 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 117.414 2.375 . . . . 25.0 117.414 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -87.79 21.03 1.08 Allowed 'Trans proline' 0 CA--C 1.541 0.839 0 N-CA-C 109.994 -0.81 . . . . 25.0 109.994 163.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 p 58.96 5.72 0.55 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.868 1.667 . . . . 25.0 114.582 -170.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -144.27 52.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.74 154.4 21.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -111.31 129.73 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.105 0.955 . . . . 25.0 112.779 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.02 125.76 44.36 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -108.03 117.08 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.066 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.44 12.86 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -70.19 -22.51 62.94 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.907 -0.495 . . . . 25.0 110.863 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.79 63.37 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.639 0.257 . . . . 25.0 111.096 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.9 mt -93.02 -10.37 36.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.1 -49.4 4.23 Favored Glycine 0 C--O 1.237 0.282 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.9 t80 68.61 168.65 0.28 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.262 1.425 . . . . 25.0 109.119 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -119.72 -31.54 4.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -174.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.75 -179.82 17.09 Favored Glycine 0 CA--C 1.51 -0.276 0 N-CA-C 108.867 -1.693 . . . . 25.0 108.867 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tp -122.87 44.62 2.6 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.066 0.933 . . . . 25.0 111.901 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.75 55.33 4.72 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 115.508 -0.769 . . . . 25.0 114.213 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.04 28.38 16.21 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.518 1.673 . . . . 25.0 115.518 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.82 6.5 85.22 Favored Glycine 0 C--N 1.326 -0.023 0 N-CA-C 117.731 1.852 . . . . 25.0 117.731 168.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -123.21 168.92 11.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 117.799 0.8 . . . . 25.0 109.684 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.81 37.8 27.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.813 0.845 . . . . 25.0 109.648 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.95 -10.2 27.48 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.251 0.861 . . . . 25.0 115.251 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.1 p -76.93 171.51 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.695 0.748 . . . . 25.0 110.535 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -104.38 170.75 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.09 152.53 48.58 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.37 146.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.3 t -144.77 149.99 36.45 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.82 132.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.73 122.3 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.49 -29.48 52.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.114 0.483 . . . . 25.0 111.172 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -68.03 -26.59 65.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 25.0 109.923 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -9.53 52.64 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.93 34.14 13.05 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.206 1.003 . . . . 25.0 111.287 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.508 -174.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.3 t -128.17 108.7 10.84 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 103.815 -2.661 . . . . 25.0 103.815 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -93.39 145.04 24.77 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 111.62 -2.536 . . . . 25.0 108.993 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.73 128.18 40.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -157.94 167.68 29.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.3 t -116.44 150.35 37.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -138.31 5.96 2.53 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.85 -33.75 76.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.584 0.707 . . . . 25.0 111.062 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -135.0 137.08 42.66 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 105.742 -1.947 . . . . 25.0 105.742 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.93 -65.57 1.05 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.491 -1.231 . . . . 25.0 111.639 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.69 -29.41 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.514 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 16.5 mp0 -76.04 -24.57 55.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.185 -1.37 . . . . 25.0 110.563 -175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.63 79.43 0.12 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 105.895 -2.882 . . . . 25.0 105.895 -176.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.7 6.16 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.97 1.367 . . . . 25.0 109.584 -174.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.68 -179.87 5.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 111.649 -2.523 . . . . 25.0 109.726 -164.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.88 156.21 17.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -144.72 133.08 21.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.046 0.538 . . . . 25.0 109.791 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.73 164.13 26.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 106.598 -1.631 . . . . 25.0 106.598 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.38 146.48 32.55 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.98 131.63 39.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -79.62 114.08 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.54 179.36 21.75 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 106.783 -2.527 . . . . 25.0 106.783 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.35 32.18 6.13 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 18.12 0.07 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 122.112 0.958 . . . . 25.0 113.504 -174.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.47 -32.11 69.51 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 170.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.31 55.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.203 -0.908 . . . . 25.0 109.645 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.69 42.07 3.38 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.035 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.0 124.91 32.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.438 -1.69 . . . . 25.0 106.438 175.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.0 p -161.79 167.58 24.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.13 -29.34 67.37 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.062 0.458 . . . . 25.0 110.934 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -72.41 -29.89 64.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.917 -0.489 . . . . 25.0 110.251 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -80.2 -44.45 19.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.87 -0.519 . . . . 25.0 111.903 173.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 27.9 mm -115.78 127.02 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.6 tp -100.45 128.03 46.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.04 167.79 21.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.124 -1.436 . . . . 25.0 107.124 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.4 31.29 3.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.334 0.588 . . . . 25.0 111.357 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.84 149.35 35.64 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.88 0.66 8.0 Favored 'Trans proline' 0 C--N 1.352 0.743 0 N-CA-C 114.897 1.076 . . . . 25.0 114.897 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 6.6 p -125.88 134.73 26.18 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.464 -2.05 . . . . 25.0 105.464 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.02 -177.57 3.01 Favored 'Trans proline' 0 C--O 1.244 0.785 0 N-CA-C 115.628 1.357 . . . . 25.0 115.628 -173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.253 1.241 0 CA-C-O 116.508 -1.711 . . . . 25.0 107.596 178.656 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.77 -14.32 41.3 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 116.195 -2.07 . . . . 25.0 113.972 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -49.13 22.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.505 0.193 . . . . 25.0 110.505 175.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.25 155.53 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.06 28.03 5.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.84 43.94 26.79 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.334 -0.848 . . . . 25.0 111.144 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -76.16 118.96 75.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 51.1 Cg_exo -61.28 141.89 94.4 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 114.066 -3.489 . . . . 25.0 115.48 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 131.36 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.04 113.62 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 123.125 1.441 . . . . 25.0 108.395 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.04 -135.85 1.77 Allowed Glycine 0 C--N 1.315 -0.625 0 CA-C-N 112.776 -2.011 . . . . 25.0 110.174 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -128.85 170.26 13.6 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.094 -0.651 . . . . 25.0 110.374 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -87.52 3.06 48.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.575 0.702 . . . . 25.0 109.119 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 tp -79.58 174.41 11.61 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -70.09 100.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -87.38 118.88 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.23 94.96 5.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 165.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.93 153.94 51.88 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -129.97 150.67 51.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.703 0.764 . . . . 25.0 111.814 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.94 -37.41 2.54 Favored Glycine 0 C--N 1.321 -0.277 0 CA-C-N 113.851 -1.522 . . . . 25.0 112.109 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.1 p 46.38 -145.57 0.21 Allowed 'General case' 0 C--O 1.241 0.628 0 CA-C-N 113.442 -1.379 . . . . 25.0 110.881 -174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.64 -6.94 3.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.21 2.3 . . . . 25.0 117.21 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 138.42 58.31 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.61 43.73 3.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -147.84 147.4 29.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.769 -1.567 . . . . 25.0 106.769 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HB2' ' H ' ' A' ' 44' ' ' LEU . 2.6 tp10 -140.98 154.35 46.0 Favored 'General case' 0 C--O 1.176 -2.806 0 N-CA-C 117.623 2.453 . . . . 75.0 117.623 -172.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.1 mp -88.48 141.35 14.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 113.65 -1.614 . . . . 25.0 111.569 -165.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -113.98 150.01 34.48 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.124 2.17 . . . . 25.0 105.478 171.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 73.11 0.07 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 119.866 -1.159 . . . . 25.0 115.826 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.99 -77.55 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 N-CA-C 120.013 2.765 . . . . 25.0 120.013 -168.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.76 -175.67 10.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 122.554 1.086 . . . . 25.0 114.332 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.18 168.2 5.59 Favored Glycine 0 C--N 1.312 -0.75 0 N-CA-C 116.485 1.354 . . . . 25.0 116.485 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 82.35 3.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -79.08 153.37 30.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -130.69 104.63 7.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 104.822 -2.288 . . . . 25.0 104.822 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.12 116.14 21.59 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 -171.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.08 136.11 49.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.22 -0.71 5.85 Favored Glycine 0 C--O 1.215 -1.05 0 CA-C-O 118.401 -1.222 . . . . 25.0 115.465 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 18.7 -101.32 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.49 168.09 54.69 Favored Glycine 0 C--O 1.274 2.596 0 N-CA-C 115.236 0.854 . . . . 25.0 115.236 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.2 164.78 34.93 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 120.111 -1.042 . . . . 25.0 111.085 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.2 134.8 14.81 Favored Glycine 0 C--N 1.316 -0.575 0 N-CA-C 105.67 -2.972 . . . . 25.0 105.67 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -125.58 157.34 37.38 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 -168.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 1.8 tt -144.63 97.89 3.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.49 145.23 50.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.327 -0.851 . . . . 25.0 111.057 -164.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -138.99 147.74 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.95 9.26 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 116.388 1.315 . . . . 25.0 116.388 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.82 -156.31 43.85 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.115 2.508 . . . . 25.0 112.121 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.12 148.37 40.81 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 109.802 -3.199 . . . . 25.0 111.713 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.56 -172.33 27.34 Favored Glycine 0 C--N 1.312 -0.789 0 CA-C-N 113.728 -1.578 . . . . 25.0 115.185 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -100.19 105.92 17.56 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -114.52 155.26 26.77 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -169.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -121.48 109.72 15.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.195 -1.409 . . . . 25.0 107.195 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.5 mt -120.99 112.68 19.04 Favored 'General case' 0 C--O 1.209 -1.053 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.77 141.02 47.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.063 0.847 . . . . 25.0 110.72 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.47 -10.86 2.29 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 116.932 1.533 . . . . 25.0 116.932 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.76 -125.97 7.98 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-O 125.4 2.667 . . . . 25.0 117.301 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.25 146.18 51.61 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 109.582 -3.309 . . . . 25.0 110.769 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.48 161.09 36.86 Favored Glycine 0 C--O 1.244 0.766 0 N-CA-C 115.14 0.816 . . . . 25.0 115.14 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.9 68.63 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.89 -1.522 . . . . 25.0 106.89 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -66.13 153.09 43.29 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.165 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 m -113.37 96.0 5.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.663 0.744 . . . . 25.0 109.06 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -86.99 126.34 34.67 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -109.2 138.57 45.34 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.551 0.691 . . . . 25.0 110.207 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -121.22 98.0 5.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.75 2.21 32.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.418 -2.438 . . . . 25.0 104.418 165.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.19 89.78 7.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.403 -176.493 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -86.8 -72.39 0.51 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.866 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -70.93 -18.1 62.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.54 1.162 . . . . 25.0 107.964 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.29 -7.98 55.4 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-N 114.568 -1.196 . . . . 25.0 112.049 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -130.81 35.92 3.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.17 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.86 165.96 10.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -137.14 155.68 49.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -178.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.3 p -150.86 168.17 25.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.92 -25.32 66.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.775 . . . . 25.0 108.909 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -6.08 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.707 0.765 . . . . 25.0 112.285 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.18 151.91 5.53 Favored Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.438 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 2.1 p -118.88 143.26 47.08 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.852 0.358 . . . . 25.0 110.346 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.5 92.19 3.56 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -120.81 175.79 5.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.708 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.31 113.5 19.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.03 105.57 17.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.77 121.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.4 mt -101.89 160.65 14.3 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.322 -0.236 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 32.81 78.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.116 1.436 . . . . 25.0 114.461 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -148.36 39.33 0.9 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.65 -1.614 . . . . 25.0 115.171 -170.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -138.94 70.43 42.48 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 117.437 2.384 . . . . 25.0 117.437 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.21 20.89 1.08 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 110.169 -0.743 . . . . 25.0 110.169 164.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 58.68 7.03 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.663 1.585 . . . . 25.0 114.509 -170.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -145.15 54.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.8 154.27 24.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.453 -2.055 . . . . 50.0 105.453 174.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.18 131.6 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 122.226 1.012 . . . . 25.0 113.116 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.0 tp -123.62 133.0 54.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 106.015 -1.846 . . . . 25.0 106.015 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -119.15 111.84 18.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.756 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.38 13.57 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -28.33 68.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.029 -0.42 . . . . 25.0 110.941 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.6 62.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.5 mt -87.62 -16.11 35.39 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.07 -52.01 4.48 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 108.306 -1.918 . . . . 25.0 108.306 -168.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.4 t80 65.87 170.7 0.22 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.037 1.335 . . . . 25.0 109.549 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -120.77 -32.91 3.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 113.635 0.976 . . . . 25.0 113.635 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.28 179.02 16.12 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.16 39.55 3.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.02 0.914 . . . . 25.0 111.589 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.53 56.16 4.45 Favored Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.296 -0.865 . . . . 25.0 115.151 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 58.93 27.5 16.33 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.893 1.812 . . . . 25.0 115.893 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.94 7.4 83.91 Favored Glycine 0 N--CA 1.458 0.114 0 N-CA-C 117.841 1.896 . . . . 25.0 117.841 167.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -124.2 168.38 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.805 0.803 . . . . 25.0 109.701 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.77 38.01 27.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.803 0.841 . . . . 25.0 109.649 -174.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.91 -11.4 21.45 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 115.259 0.864 . . . . 25.0 115.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 p -76.59 171.57 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.793 0.796 . . . . 25.0 110.359 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -104.29 169.35 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 152.89 41.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.14 144.01 24.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 t -146.87 153.29 39.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.12 133.84 60.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.96 122.45 40.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -79.01 -26.52 43.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.049 0.452 . . . . 25.0 111.162 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.75 -26.55 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.444 0.64 . . . . 25.0 109.548 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.59 -8.68 54.3 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.58 30.57 8.74 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 25.0 111.846 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -131.32 152.06 50.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -120.89 105.16 10.43 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -89.37 143.4 26.86 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 111.329 -2.669 . . . . 25.0 109.376 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -130.64 126.79 37.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.55 168.34 27.57 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.3 t -118.64 152.33 36.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 102.646 -3.094 . . . . 25.0 102.646 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.1 3.19 2.62 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.61 -34.03 76.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.536 0.684 . . . . 25.0 111.209 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.1 p -135.59 138.12 42.64 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -123.03 -66.21 1.04 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.182 -1.372 . . . . 25.0 111.556 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.75 -29.31 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 16.2 mp0 -75.35 -24.6 57.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.276 -175.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.86 78.86 0.13 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 106.46 -2.656 . . . . 25.0 106.46 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 116.03 5.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 123.138 1.447 . . . . 25.0 109.496 -175.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 166.0 12.23 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 111.617 -2.538 . . . . 25.0 110.38 -163.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -85.64 154.31 21.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.45 129.68 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.24 166.56 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 149.01 32.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.25 132.44 39.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.06 115.02 19.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 142.49 179.62 19.49 Favored Glycine 0 N--CA 1.437 -1.241 0 N-CA-C 106.785 -2.526 . . . . 25.0 106.785 -175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.02 31.39 6.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 16.56 0.07 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.87 -29.87 64.82 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 170.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.0 -7.13 56.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.417 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -125.35 41.56 3.49 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.68 122.95 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -160.57 164.82 31.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.35 69.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.076 0.465 . . . . 25.0 110.851 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.97 -32.03 66.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.073 -0.392 . . . . 25.0 110.067 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.51 -42.53 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.099 0.409 . . . . 25.0 111.847 174.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.7 mt -129.27 124.79 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.8 tp -95.27 132.44 40.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -140.36 168.69 19.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.29 31.28 3.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.344 0.592 . . . . 25.0 111.281 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.79 149.83 37.55 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.92 0.48 8.25 Favored 'Trans proline' 0 C--N 1.352 0.738 0 N-CA-C 114.978 1.107 . . . . 25.0 114.978 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.58 133.63 24.91 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.3 -178.37 3.59 Favored 'Trans proline' 0 C--O 1.243 0.736 0 N-CA-C 115.692 1.382 . . . . 25.0 115.692 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 116.645 -1.645 . . . . 25.0 106.814 177.504 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 N--CA 1.486 1.375 0 N-CA-C 110.531 -0.174 . . . . 25.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.92 -14.76 39.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 116.136 -2.11 . . . . 25.0 113.813 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -43.79 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.612 0.244 . . . . 25.0 110.481 176.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.85 148.93 10.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -112.55 23.3 13.7 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.59 44.55 20.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.093 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -78.48 115.66 53.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.21 145.01 96.31 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 114.625 -3.117 . . . . 25.0 114.537 -176.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.82 133.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.49 116.32 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.71 -139.38 3.33 Favored Glycine 0 C--N 1.313 -0.723 0 CA-C-N 112.88 -1.964 . . . . 25.0 110.869 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t -118.34 166.22 12.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.141 0.496 . . . . 25.0 110.836 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -87.24 3.35 46.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.488 0.661 . . . . 25.0 109.573 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 tp -82.67 176.89 9.0 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.537 -1.282 . . . . 25.0 107.537 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.01 111.66 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -93.7 125.02 38.09 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.34 95.1 4.91 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 104.574 -2.38 . . . . 25.0 104.574 165.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -137.82 153.44 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -128.28 149.34 50.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.916 0.865 . . . . 25.0 112.209 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -105.23 -39.74 2.21 Favored Glycine 0 CA--C 1.496 -1.155 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.573 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p 45.64 -144.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.822 -1.189 . . . . 25.0 111.088 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.56 -10.32 7.8 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.788 2.144 . . . . 25.0 116.788 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 138.13 58.02 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 44.52 3.35 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -150.37 157.88 43.54 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 104.397 -2.446 . . . . 25.0 104.397 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.8 tp10 -140.83 -179.37 6.02 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 123.22 0.325 . . . . 50.0 111.269 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.0 mp -121.08 137.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.926 -168.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -116.17 149.86 38.38 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.03 77.43 0.1 OUTLIER Glycine 0 N--CA 1.464 0.512 0 C-N-CA 119.758 -1.211 . . . . 25.0 113.256 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.3 -77.92 0.02 OUTLIER Glycine 0 C--O 1.238 0.345 0 N-CA-C 119.495 2.558 . . . . 25.0 119.495 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.51 -176.07 11.04 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-O 122.8 1.222 . . . . 25.0 113.733 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.42 165.89 4.71 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 116.934 1.534 . . . . 25.0 116.934 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.9 81.87 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -78.88 152.12 31.39 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.886 1.069 . . . . 50.0 113.886 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -128.96 104.06 7.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.004 -2.221 . . . . 25.0 105.004 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.84 118.33 25.27 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.36 136.19 48.42 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.95 -1.871 . . . . 25.0 105.95 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.59 -6.38 2.65 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 119.036 -0.869 . . . . 25.0 115.248 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 18.33 -95.84 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 118.279 2.696 . . . . 25.0 118.279 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.57 166.46 54.18 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-O 122.512 1.062 . . . . 25.0 115.508 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.65 167.41 34.58 Favored Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 110.764 -0.934 . . . . 25.0 110.764 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.74 133.87 13.71 Favored Glycine 0 C--N 1.313 -0.706 0 N-CA-C 106.962 -2.455 . . . . 25.0 106.962 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -126.86 154.84 43.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 117.208 0.504 . . . . 50.0 111.1 -170.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.51 101.61 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -125.55 130.16 51.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -168.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.28 121.97 44.53 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 170.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.66 -21.31 54.07 Favored Glycine 0 N--CA 1.461 0.366 0 N-CA-C 115.791 1.076 . . . . 25.0 115.791 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.506 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.94 -160.25 42.35 Favored Glycine 0 N--CA 1.424 -2.114 0 CA-C-O 125.203 2.557 . . . . 25.0 113.124 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 149.11 30.61 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 109.682 -3.259 . . . . 25.0 111.944 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -174.03 30.51 Favored Glycine 0 C--N 1.313 -0.731 0 CA-C-N 113.456 -1.702 . . . . 25.0 114.97 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -98.21 107.18 19.6 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -112.64 154.94 25.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.885 -1.052 . . . . 50.0 113.287 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -120.27 108.62 14.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -119.27 109.26 15.61 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.573 -0.251 . . . . 25.0 110.668 -172.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 141.43 37.9 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.953 0.797 . . . . 25.0 110.381 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.35 -4.94 2.14 Favored Glycine 0 N--CA 1.464 0.559 0 N-CA-C 117.749 1.86 . . . . 25.0 117.749 -173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 35.9 -125.38 0.81 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 125.196 2.553 . . . . 25.0 118.934 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.08 145.41 46.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 109.851 -3.175 . . . . 25.0 111.575 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.4 161.18 36.4 Favored Glycine 0 C--O 1.244 0.753 0 N-CA-C 115.518 0.967 . . . . 25.0 115.518 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.66 67.16 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -68.92 153.79 43.17 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.042 -1.436 . . . . 50.0 109.655 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.4 m -113.01 96.42 5.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.968 0.89 . . . . 25.0 108.753 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -87.42 124.63 33.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 102.411 -3.181 . . . . 25.0 102.411 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -122.98 146.15 47.87 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.81 0.814 . . . . 25.0 111.38 -164.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -123.37 101.76 7.53 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.54 -1.209 . . . . 25.0 111.681 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.65 1.16 37.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.257 -2.498 . . . . 25.0 104.257 161.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.49 90.78 8.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.214 -1.357 . . . . 25.0 110.878 -175.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttt-85 -86.86 -72.74 0.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.904 -1.044 . . . . 25.0 113.278 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.54 1.162 . . . . 25.0 108.16 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -73.85 -8.36 55.77 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 114.363 -1.289 . . . . 25.0 111.704 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 t -132.0 38.52 3.51 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.421 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 136' ' ' PHE . 18.4 pt20 -102.0 164.91 11.46 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.23 156.59 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -150.77 170.71 18.57 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.38 -24.13 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -6.16 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.524 0.678 . . . . 25.0 112.557 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.25 153.35 5.89 Favored Glycine 0 C--N 1.316 -0.573 0 CA-C-N 115.279 -0.873 . . . . 25.0 114.194 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -118.6 140.54 49.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 122.365 -0.491 . . . . 25.0 111.045 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -123.62 91.94 3.58 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.871 -2.64 . . . . 25.0 103.871 175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 p -124.26 177.64 5.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.661 -0.699 . . . . 25.0 110.122 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.02 110.68 18.55 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -90.3 105.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.73 120.33 38.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -101.74 159.55 15.23 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.396 0.278 . . . . 25.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 33.32 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.86 40.63 0.74 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 115.639 1.718 . . . . 25.0 115.639 -169.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -140.16 72.07 33.35 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 117.98 2.585 . . . . 25.0 117.98 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -87.63 22.02 0.96 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 N-CA-C 110.405 -0.652 . . . . 25.0 110.405 164.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.2 p 59.36 4.98 0.54 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.803 1.641 . . . . 25.0 114.908 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -138.27 30.69 2.41 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.35 0.66 . . . . 25.0 110.953 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.18 156.57 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 175.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -110.99 128.65 55.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.114 0.959 . . . . 25.0 112.882 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.25 126.93 54.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 105.846 -1.909 . . . . 25.0 105.846 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -116.81 115.75 26.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.34 16.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.198 -0.668 . . . . 25.0 109.198 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.5 p -65.74 -31.05 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.064 -0.397 . . . . 25.0 111.974 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.5 -12.27 61.01 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.59 -14.08 38.45 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -51.97 4.34 Favored Glycine 0 N--CA 1.454 -0.156 0 N-CA-C 108.54 -1.824 . . . . 25.0 108.54 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 65.67 173.72 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.813 1.245 . . . . 25.0 109.686 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -126.18 -45.56 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 177.07 27.98 Favored Glycine 0 CA--C 1.509 -0.306 0 N-CA-C 106.553 -2.619 . . . . 25.0 106.553 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 tp -127.19 24.36 6.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.539 1.17 . . . . 25.0 108.824 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.46 66.69 1.95 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.482 1.353 . . . . 25.0 116.482 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 61.66 21.04 11.84 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 25.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.89 71.73 Favored Glycine 0 C--O 1.228 -0.271 0 N-CA-C 118.101 2.0 . . . . 25.0 118.101 166.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -125.63 166.78 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.097 0.948 . . . . 25.0 109.67 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.06 38.87 30.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.622 0.769 . . . . 25.0 110.417 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.73 -10.21 47.15 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -75.58 171.23 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.076 0.938 . . . . 25.0 110.023 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.96 170.82 7.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.267 -1.753 . . . . 25.0 106.267 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.44 152.5 40.19 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 p -115.51 139.93 39.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t -146.25 152.82 39.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.608 -1.997 . . . . 25.0 105.608 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.62 134.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.66 122.09 39.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -80.68 -22.98 39.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.97 0.414 . . . . 25.0 111.334 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.9 -26.96 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.8 -8.43 54.29 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.51 30.06 7.92 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.381 1.072 . . . . 25.0 111.913 -176.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -130.28 148.72 52.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.18 0.808 . . . . 25.0 113.18 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -116.96 104.03 10.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 103.634 -2.728 . . . . 25.0 103.634 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -88.29 142.26 27.89 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.979 -2.828 . . . . 25.0 109.026 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.0 mp -126.82 122.97 36.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -157.75 163.82 37.72 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.6 t -113.52 152.59 30.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.864 -3.013 . . . . 25.0 102.864 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.48 3.83 2.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.139 -0.937 . . . . 25.0 112.915 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.71 -33.07 74.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.617 0.723 . . . . 25.0 110.491 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.9 p -136.85 137.66 39.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 106.393 -1.706 . . . . 25.0 106.393 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.32 -71.33 0.65 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.435 -1.257 . . . . 25.0 110.342 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.77 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 19.4 mp0 -78.36 -22.14 48.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.957 -175.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -171.34 82.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 106.743 -2.543 . . . . 25.0 106.743 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 117.73 7.52 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 123.281 1.515 . . . . 25.0 109.72 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.24 166.06 12.8 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 111.611 -2.541 . . . . 25.0 110.208 -164.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' GLN . 37.0 m-85 -91.79 154.62 18.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.791 -0.641 . . . . 25.0 110.986 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -144.26 132.49 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.839 0.455 . . . . 25.0 110.294 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.64 166.07 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 106.151 -1.796 . . . . 25.0 106.151 173.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.1 t -147.77 147.02 29.42 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -130.47 131.59 45.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -78.72 110.29 13.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.75 -177.47 25.99 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 106.588 -2.605 . . . . 25.0 106.588 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -123.04 30.34 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 13.0 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -174.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.02 64.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.307 -1.738 . . . . 25.0 106.307 171.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.78 60.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.561 -0.745 . . . . 25.0 109.191 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.69 37.95 3.09 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.422 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.97 117.85 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 96.1 p -158.94 166.08 32.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.63 68.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.151 0.5 . . . . 25.0 110.597 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.57 -31.43 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.54 -40.31 43.02 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 174.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.3 mt -128.86 123.45 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.8 tp -98.51 134.2 41.8 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -142.3 169.4 17.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.68 30.54 3.14 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.411 0.624 . . . . 25.0 111.231 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.43 150.76 40.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.62 0.53 8.03 Favored 'Trans proline' 0 C--N 1.351 0.701 0 N-CA-C 114.729 1.011 . . . . 25.0 114.729 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.66 140.22 37.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 103.875 -2.639 . . . . 25.0 103.875 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -69.96 171.71 14.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 115.381 -2.612 . . . . 25.0 112.986 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.581 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 110.429 -0.211 . . . . 25.0 110.429 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.0 -14.48 41.21 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 116.174 -2.084 . . . . 25.0 113.978 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -49.32 21.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.55 0.214 . . . . 25.0 110.524 175.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.49 19.91 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -127.97 29.74 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.67 38.95 29.93 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.785 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -70.9 119.45 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -62.25 144.84 95.99 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 114.846 -2.969 . . . . 25.0 114.079 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.54 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -89.59 116.02 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.62 -138.96 3.16 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 112.966 -1.924 . . . . 25.0 110.71 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.147 0.499 . . . . 25.0 110.707 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -86.9 2.89 47.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 25.0 109.626 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.27 175.84 10.26 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -67.71 111.8 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 173.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -92.61 128.99 38.67 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.582 -1.266 . . . . 50.0 107.582 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 95.27 4.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.1 -2.556 . . . . 25.0 104.1 165.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.41 153.95 47.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -172.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -128.45 149.14 50.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.93 0.872 . . . . 25.0 112.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' ' 26' ' ' GLU . . . -106.63 -39.7 2.01 Favored Glycine 0 CA--C 1.497 -1.067 0 CA-C-N 113.913 -1.494 . . . . 25.0 111.467 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.2 p 46.54 -146.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.882 -1.159 . . . . 25.0 111.44 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.98 -8.53 5.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.749 2.129 . . . . 25.0 116.749 -170.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.22 137.86 58.04 Favored 'General case' 0 C--O 1.252 1.205 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.32 46.17 3.62 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 110.299 -1.121 . . . . 25.0 110.299 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -151.42 157.86 42.95 Favored 'General case' 0 C--O 1.253 1.262 0 N-CA-C 104.153 -2.536 . . . . 25.0 104.153 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.7 tp10 -140.95 -179.78 6.27 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.827 0.346 . . . . 50.0 111.595 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 3.6 mp -121.47 137.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.025 -168.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -115.04 154.64 28.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.143 -1.799 . . . . 25.0 106.143 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.06 75.21 0.08 OUTLIER Glycine 0 C--N 1.319 -0.363 0 C-N-CA 120.057 -1.068 . . . . 25.0 112.511 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.36 -76.13 0.03 OUTLIER Glycine 0 C--O 1.237 0.31 0 N-CA-C 119.428 2.531 . . . . 25.0 119.428 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.69 -176.45 12.03 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-O 122.767 1.204 . . . . 25.0 113.859 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.02 165.03 4.92 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.844 1.497 . . . . 25.0 116.844 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.16 81.52 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.98 151.62 31.49 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -170.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.4 104.31 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.678 -2.341 . . . . 25.0 104.678 171.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.94 121.74 33.98 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 105.127 -2.175 . . . . 25.0 105.127 -171.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -110.5 135.84 50.55 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.49 -6.95 2.25 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 115.572 0.989 . . . . 25.0 115.572 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 20.08 -100.93 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 117.945 2.572 . . . . 25.0 117.945 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.21 167.81 54.85 Favored Glycine 0 C--O 1.258 1.612 0 N-CA-C 115.848 1.099 . . . . 25.0 115.848 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 166.36 34.68 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.193 -1.004 . . . . 25.0 110.669 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.69 132.56 12.06 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 107.003 -2.439 . . . . 25.0 107.003 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -127.04 154.11 45.09 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 117.015 0.407 . . . . 50.0 111.251 -169.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -138.71 101.54 4.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.21 131.86 53.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -170.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.4 116.38 24.67 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.87 -19.97 60.41 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 -174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 63.35 -158.73 38.62 Favored Glycine 0 N--CA 1.425 -2.063 0 CA-C-O 125.339 2.633 . . . . 25.0 113.487 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.98 149.22 32.65 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 109.397 -3.401 . . . . 25.0 111.697 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.66 -174.38 29.25 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.566 -1.652 . . . . 25.0 115.002 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -99.12 104.97 17.0 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -111.83 151.6 28.88 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -118.96 109.35 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.5 mt -120.92 102.71 8.53 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 144.49 26.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.218 -0.926 . . . . 25.0 110.366 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.92 -2.17 1.45 Allowed Glycine 0 N--CA 1.46 0.239 0 N-CA-C 117.022 1.569 . . . . 25.0 117.022 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 31.09 -127.07 0.18 Allowed Glycine 0 CA--C 1.503 -0.683 0 N-CA-C 119.9 2.72 . . . . 25.0 119.9 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.81 142.92 44.11 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 109.892 -3.154 . . . . 25.0 111.447 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.6 159.41 32.82 Favored Glycine 0 C--O 1.244 0.742 0 N-CA-C 115.282 0.873 . . . . 25.0 115.282 174.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 66.78 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.31 154.84 41.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.064 -1.426 . . . . 50.0 109.619 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.1 m -113.74 99.92 8.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.704 0.764 . . . . 25.0 108.98 174.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -92.08 125.82 36.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 102.055 -3.313 . . . . 25.0 102.055 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -127.91 145.04 51.08 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.929 0.871 . . . . 25.0 111.8 -164.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -118.81 102.21 8.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.337 -1.302 . . . . 25.0 112.062 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.93 1.51 36.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 104.221 -2.511 . . . . 25.0 104.221 161.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -87.71 92.15 9.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.268 -1.333 . . . . 25.0 110.482 -176.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -86.46 -71.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 -172.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -72.1 -17.4 61.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -74.32 -9.81 58.97 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.218 -1.356 . . . . 25.0 112.079 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t -131.0 35.28 3.96 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.837 -0.62 . . . . 25.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -102.57 165.79 10.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.9 157.48 46.32 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 95.0 p -150.88 167.34 27.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.106 -2.553 . . . . 25.0 104.106 170.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.31 -24.96 64.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.75 -5.88 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 25.0 111.96 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.25 4.29 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 115.082 -0.963 . . . . 25.0 113.546 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -118.93 142.19 47.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -125.21 92.18 3.58 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 p -119.78 178.16 4.69 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.79 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.3 110.58 15.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.126 -1.064 . . . . 50.0 108.126 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.49 104.6 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.76 125.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.41 165.8 11.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 22.92 79.71 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.608 2.077 . . . . 25.0 116.608 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.75 41.02 1.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.824 -1.535 . . . . 25.0 114.951 -169.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -140.0 71.36 35.0 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 117.946 2.573 . . . . 25.0 117.946 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -87.24 22.94 0.86 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 N-CA-C 110.204 -0.729 . . . . 25.0 110.204 164.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.3 p 59.54 4.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.83 1.652 . . . . 25.0 114.886 -171.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -139.57 32.42 2.06 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.357 0.663 . . . . 25.0 111.131 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.94 156.68 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.803 -1.554 . . . . 50.0 106.803 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -111.1 127.02 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.277 1.037 . . . . 25.0 113.423 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 tp -115.27 126.94 55.11 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.925 -1.879 . . . . 25.0 105.925 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.31 117.43 29.5 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.717 -0.22 . . . . 25.0 110.464 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.3 m -124.38 14.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -66.76 -28.6 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.21 -13.83 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.5 -13.88 39.17 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 174.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.79 -50.09 4.13 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 108.549 -1.821 . . . . 25.0 108.549 -169.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 66.36 171.35 0.24 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.948 1.299 . . . . 25.0 109.188 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 p -120.17 -31.73 4.33 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.77 179.19 16.24 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 108.627 -1.789 . . . . 25.0 108.627 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.89 36.94 4.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.016 0.908 . . . . 25.0 111.193 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.23 3.75 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.216 -0.902 . . . . 25.0 115.215 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 58.99 26.74 15.42 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.46 9.01 84.13 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 117.755 1.862 . . . . 25.0 117.755 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -124.13 168.32 13.06 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.862 0.831 . . . . 25.0 109.74 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.34 27.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.867 0.867 . . . . 25.0 109.611 -174.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.62 -11.87 24.18 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 115.212 0.845 . . . . 25.0 115.212 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 p -75.44 171.75 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.699 0.75 . . . . 25.0 110.362 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.09 170.55 7.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.66 152.91 44.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.76 144.62 20.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -145.7 150.39 36.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.41 132.88 64.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.45 122.29 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.82 -25.91 44.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.968 0.413 . . . . 25.0 111.183 -174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.8 -26.25 65.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.562 0.696 . . . . 25.0 109.539 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.0 -9.46 51.99 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.326 -1.11 . . . . 25.0 110.326 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.33 32.02 10.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.168 0.987 . . . . 25.0 111.457 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -131.16 152.68 50.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.9 t -123.66 106.16 10.31 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -91.46 145.5 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 111.278 -2.692 . . . . 25.0 109.457 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 mp -129.22 126.85 40.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -157.64 167.42 30.16 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 t -115.8 153.95 30.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 102.884 -3.006 . . . . 25.0 102.884 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.3 3.24 2.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.01 -33.12 74.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.65 0.738 . . . . 25.0 110.173 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.4 p -135.51 140.58 44.88 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 104.704 -2.332 . . . . 25.0 104.704 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -112.57 -74.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.978 -1.01 . . . . 25.0 113.37 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.72 -37.8 12.79 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 122.092 0.948 . . . . 25.0 108.646 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.666 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.5 mp0 -67.01 -30.93 71.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.178 -1.373 . . . . 25.0 110.377 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.48 64.51 0.55 Allowed Glycine 0 CA--C 1.501 -0.821 0 N-CA-C 106.097 -2.801 . . . . 25.0 106.097 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 121.81 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.589 1.185 . . . . 25.0 108.649 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 33.6 p -119.0 165.81 13.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 112.544 -2.116 . . . . 25.0 110.154 -160.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.27 150.87 46.93 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -140.55 127.98 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 171.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.4 164.62 24.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 106.476 -1.675 . . . . 25.0 106.476 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.0 t -145.39 148.79 33.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tt -134.07 131.12 38.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -79.26 113.57 17.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.31 179.99 21.17 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 106.673 -2.571 . . . . 25.0 106.673 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.08 32.05 6.12 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 14.43 0.08 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.427 1.269 . . . . 25.0 114.427 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.88 -29.19 62.98 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 170.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.88 -8.97 58.18 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.195 174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.34 39.38 3.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.154 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.3 mt -74.1 119.53 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -160.61 164.88 31.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.38 -30.44 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 25.0 110.617 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.85 -31.6 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.104 -0.373 . . . . 25.0 110.255 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.85 -40.52 39.98 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 25.2 mt -129.34 126.04 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.9 tp -99.37 131.98 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -141.95 168.79 18.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -135.65 31.7 3.07 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.298 0.571 . . . . 25.0 111.118 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.25 150.78 37.44 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.83 -1.58 10.63 Favored 'Trans proline' 0 C--N 1.354 0.818 0 N-CA-C 115.056 1.137 . . . . 25.0 115.056 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.85 133.76 24.86 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.51 -176.59 2.59 Favored 'Trans proline' 0 C--O 1.244 0.819 0 N-CA-C 115.552 1.328 . . . . 25.0 115.552 -172.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.253 1.237 0 CA-C-O 116.682 -1.627 . . . . 25.0 107.073 177.09 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 110.536 -0.172 . . . . 25.0 110.536 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.72 -15.41 40.89 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.171 -2.086 . . . . 25.0 113.731 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -41.34 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.64 0.257 . . . . 25.0 110.437 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.8 141.46 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -106.34 17.07 23.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.69 24.84 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.074 -0.966 . . . . 25.0 110.557 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -63.87 123.31 81.33 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.49 140.02 89.25 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 115.056 -2.83 . . . . 25.0 113.301 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.22 125.54 39.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.18 112.31 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-O 123.081 1.42 . . . . 25.0 108.583 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.79 -136.96 2.7 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 112.943 -1.935 . . . . 25.0 110.169 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -129.9 170.65 13.66 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.244 -0.562 . . . . 25.0 110.528 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -87.26 2.55 49.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.543 0.687 . . . . 25.0 109.404 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.01 174.36 11.67 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.47 110.52 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.32 124.29 38.25 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -114.62 95.07 5.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.111 -2.181 . . . . 25.0 105.111 166.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -136.8 153.95 50.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 -173.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -127.86 148.24 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.237 1.017 . . . . 25.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 -41.37 2.16 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.176 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.1 p 45.2 -144.67 0.17 Allowed 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.185 -1.008 . . . . 25.0 111.166 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.18 -10.47 4.52 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 117.23 2.307 . . . . 25.0 117.23 -170.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 140.25 58.14 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.69 44.96 3.42 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 108.9 -1.68 . . . . 25.0 108.9 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -150.08 151.06 32.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.896 -2.261 . . . . 25.0 104.896 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 27' ' ' ILE 0.294 3.2 tp10 -141.14 157.32 45.44 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.871 1.804 . . . . 75.0 115.871 -171.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.4 mp -99.65 139.9 20.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-N 114.914 -1.039 . . . . 25.0 111.504 -165.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -115.3 148.49 39.15 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.76 72.77 0.08 OUTLIER Glycine 0 N--CA 1.465 0.579 0 C-N-CA 120.061 -1.066 . . . . 25.0 113.097 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -29.47 -76.92 0.02 OUTLIER Glycine 0 C--O 1.237 0.3 0 N-CA-C 119.309 2.484 . . . . 25.0 119.309 -168.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.3 -176.4 11.02 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-O 122.826 1.236 . . . . 25.0 114.062 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.05 164.63 4.77 Favored Glycine 0 C--N 1.31 -0.875 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 81.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -78.68 151.87 31.95 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -170.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.6 104.47 7.68 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.54 121.34 33.41 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 105.242 -2.133 . . . . 25.0 105.242 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -109.48 136.08 49.46 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.79 -1.929 . . . . 25.0 105.79 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 -7.34 2.43 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.606 1.002 . . . . 25.0 115.606 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 18.36 -98.71 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 119.015 2.968 . . . . 25.0 119.015 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.75 167.66 54.79 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.141 -1.028 . . . . 25.0 115.314 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.63 167.35 34.43 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 117.695 0.748 . . . . 25.0 112.174 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.42 130.52 9.82 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -124.33 152.69 42.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 117.673 0.736 . . . . 50.0 110.55 -168.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.0 mt -138.4 97.91 3.48 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.51 133.04 54.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -170.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 115.45 18.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 172.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.85 -17.79 69.35 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 117.036 1.574 . . . . 25.0 117.036 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.6 -158.18 43.95 Favored Glycine 0 N--CA 1.424 -2.12 0 CA-C-O 125.164 2.535 . . . . 25.0 112.773 -178.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 149.34 35.77 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 109.731 -3.234 . . . . 25.0 111.787 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.82 -174.37 29.04 Favored Glycine 0 C--N 1.312 -0.759 0 CA-C-N 113.618 -1.628 . . . . 25.0 115.344 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -97.71 103.98 15.96 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -111.36 150.43 29.75 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -170.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -117.76 109.32 16.46 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.5 mt -120.68 102.16 8.21 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.35 142.94 27.88 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.238 -0.914 . . . . 25.0 110.101 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.78 -9.95 1.45 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 116.674 1.43 . . . . 25.0 116.674 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.36 -128.03 2.25 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-O 125.466 2.703 . . . . 25.0 119.017 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -56.55 143.1 36.81 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.383 -3.408 . . . . 25.0 111.978 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.75 160.93 37.0 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 115.639 1.016 . . . . 25.0 115.639 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.12 66.24 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.448 1.099 . . . . 25.0 108.334 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -67.13 154.29 41.59 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.015 -1.448 . . . . 50.0 109.611 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.1 m -112.58 98.67 7.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -92.73 123.07 35.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 102.55 -3.13 . . . . 25.0 102.55 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -126.37 144.96 50.64 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-O 121.983 0.896 . . . . 25.0 111.895 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.91 103.59 9.18 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.233 -1.349 . . . . 25.0 111.764 -172.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.3 1.23 35.42 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.302 -2.481 . . . . 25.0 104.302 161.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -88.99 90.86 8.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.167 -1.378 . . . . 25.0 110.753 -175.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -87.0 -71.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -173.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -71.32 -17.96 62.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.484 1.135 . . . . 25.0 107.95 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -74.35 -8.79 57.46 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.531 -1.213 . . . . 25.0 111.819 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 36.86 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.167 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -102.69 165.1 11.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 152.97 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.183 0.809 . . . . 25.0 113.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.3 p -150.55 171.36 17.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 171.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.85 -24.21 66.11 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.68 54.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 25.0 111.978 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.11 152.88 5.75 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 114.211 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -118.98 139.4 51.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.089 0.471 . . . . 25.0 110.039 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -125.69 92.57 3.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 103.782 -2.673 . . . . 25.0 103.782 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 p -121.07 173.43 7.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 25.0 110.786 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.71 110.63 19.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.04 104.51 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -84.64 126.02 40.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.78 165.61 11.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 22.9 79.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -144.74 39.71 1.26 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.831 -1.531 . . . . 25.0 114.846 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -139.76 71.76 36.14 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 117.806 2.521 . . . . 25.0 117.806 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.95 22.25 0.91 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 N-CA-C 110.087 -0.774 . . . . 25.0 110.087 163.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 p 59.36 6.97 0.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.768 1.627 . . . . 25.0 114.346 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -145.6 54.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 155.99 21.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 173.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -111.14 127.46 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.269 1.033 . . . . 25.0 113.371 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 tp -116.71 130.32 56.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 174.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -119.84 118.42 30.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.182 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.28 14.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.7 p -66.1 -30.19 70.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.013 -0.43 . . . . 25.0 111.901 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.45 60.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.5 mt -88.21 -13.97 39.73 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 174.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.53 -50.82 4.4 Favored Glycine 0 CA--C 1.517 0.164 0 N-CA-C 108.254 -1.939 . . . . 25.0 108.254 -168.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.6 t80 65.65 171.81 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.989 1.316 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -121.3 -31.91 3.99 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.03 178.24 15.6 Favored Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.4 38.17 4.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.191 0.995 . . . . 25.0 111.163 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.7 57.11 4.22 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.196 -0.911 . . . . 25.0 115.007 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 58.19 26.19 13.49 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.559 1.688 . . . . 25.0 115.559 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.43 8.26 83.55 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 117.739 1.856 . . . . 25.0 117.739 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -121.36 167.66 12.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.085 0.943 . . . . 25.0 109.771 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.09 38.43 29.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.834 0.854 . . . . 25.0 109.996 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.09 -10.72 25.73 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.172 0.829 . . . . 25.0 115.172 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 p -75.93 172.67 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.794 0.797 . . . . 25.0 109.979 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.72 168.55 9.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.14 152.99 39.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.082 -1.822 . . . . 25.0 106.082 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.51 144.0 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 106.353 -1.721 . . . . 25.0 106.353 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -144.39 148.57 34.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.73 131.79 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.89 122.04 39.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.907 -1.886 . . . . 25.0 105.907 178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.08 -28.68 54.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.483 . . . . 25.0 111.137 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.17 -26.76 65.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.439 0.638 . . . . 25.0 109.853 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.26 -9.51 53.38 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.661 -0.976 . . . . 25.0 110.661 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.25 32.47 10.85 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.221 1.008 . . . . 25.0 111.517 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -132.39 155.91 47.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.672 -0.694 . . . . 25.0 112.684 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.9 t -127.73 108.8 11.05 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 103.696 -2.705 . . . . 25.0 103.696 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -94.4 145.85 24.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 111.704 -2.498 . . . . 25.0 109.498 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.4 mp -129.85 125.5 35.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.599 -1.259 . . . . 25.0 107.599 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -157.07 167.89 29.1 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 t -118.3 151.45 37.66 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.8 1.97 2.84 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.339 0.866 . . . . 25.0 113.339 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.48 -33.38 74.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.549 0.69 . . . . 25.0 110.467 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.1 p -134.9 140.33 45.69 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.196 -1.779 . . . . 25.0 106.196 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -127.28 -73.67 0.6 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.244 -1.344 . . . . 25.0 110.751 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.75 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 18.3 mp0 -76.36 -25.21 54.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.265 -1.334 . . . . 25.0 110.627 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.83 75.05 0.16 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 109.787 -1.325 . . . . 25.0 109.787 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 128.35 35.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.6 p -122.55 165.73 15.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.258 -164.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 154.06 42.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.103 0.478 . . . . 25.0 111.658 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -141.07 130.85 24.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.62 164.15 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 47.3 t -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.38 131.22 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -79.13 114.01 17.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 144.18 179.97 21.05 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 106.892 -2.483 . . . . 25.0 106.892 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -120.67 32.0 6.18 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.717 -0.845 . . . . 25.0 108.717 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 15.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.34 -29.64 64.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.206 -1.775 . . . . 25.0 106.206 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.21 57.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.387 -0.824 . . . . 25.0 109.254 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.43 41.13 3.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.236 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.56 122.13 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.7 p -161.54 165.06 29.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.32 69.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 25.0 110.765 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.83 -32.12 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.069 -0.394 . . . . 25.0 110.169 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.78 -41.28 45.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.488 . . . . 25.0 112.316 174.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 23.7 mt -129.46 125.2 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.7 tp -97.36 133.19 42.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -140.18 168.86 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.97 31.38 3.28 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.388 0.614 . . . . 25.0 111.176 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.1 150.57 38.46 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.76 0.55 8.08 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 115.103 1.155 . . . . 25.0 115.103 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 4.0 p -123.92 133.81 24.91 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 105.286 -2.116 . . . . 25.0 105.286 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.35 -177.63 3.14 Favored 'Trans proline' 0 C--O 1.244 0.824 0 N-CA-C 115.861 1.447 . . . . 25.0 115.861 -172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.252 1.19 0 CA-C-O 116.499 -1.715 . . . . 25.0 106.955 177.87 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 110.572 -0.158 . . . . 25.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.9 -15.31 40.17 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 116.08 -2.147 . . . . 25.0 113.768 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -41.7 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 25.0 110.343 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.1 142.32 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.68 18.63 21.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.06 45.33 23.81 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.061 -0.972 . . . . 25.0 110.425 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -68.07 116.59 40.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -62.59 146.08 95.35 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 115.137 -2.775 . . . . 25.0 114.089 -176.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.03 132.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 106.536 -1.654 . . . . 25.0 106.536 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -89.58 114.92 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-O 122.996 1.379 . . . . 25.0 107.878 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.47 -137.19 2.63 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 113.003 -1.908 . . . . 25.0 110.236 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -129.02 169.95 14.07 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.357 -0.496 . . . . 25.0 110.146 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -86.78 2.99 46.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.516 0.674 . . . . 25.0 109.425 173.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.69 174.95 11.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.86 111.07 4.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.83 127.13 39.41 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.97 95.37 4.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 104.675 -2.342 . . . . 25.0 104.675 166.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -136.4 153.77 51.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -126.24 148.11 49.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.976 0.893 . . . . 25.0 112.131 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.16 -37.18 2.01 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 113.954 -1.476 . . . . 25.0 111.411 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p 48.05 -148.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.254 -0.973 . . . . 25.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.04 -9.14 19.67 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.224 1.935 . . . . 25.0 116.224 -170.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 139.56 57.11 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 174.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.54 48.23 4.0 Favored Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.172 -1.171 . . . . 25.0 110.172 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -151.14 150.3 30.49 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.1 tp10 -140.71 -179.32 5.98 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.203 0.816 . . . . 75.0 113.203 -176.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 4.5 mp -112.52 140.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.716 0.77 . . . . 25.0 113.035 -167.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -111.9 149.34 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 105.092 -2.188 . . . . 25.0 105.092 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.94 69.12 0.06 OUTLIER Glycine 0 N--CA 1.464 0.523 0 C-N-CA 120.058 -1.068 . . . . 25.0 112.98 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -30.11 -75.81 0.03 OUTLIER Glycine 0 C--O 1.239 0.447 0 N-CA-C 119.788 2.675 . . . . 25.0 119.788 -168.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.78 -176.64 10.08 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-O 122.78 1.211 . . . . 25.0 114.358 -174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 165.58 5.27 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 116.844 1.498 . . . . 25.0 116.844 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.12 81.57 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.71 150.88 32.42 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 -170.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.07 104.01 7.54 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 104.423 -2.436 . . . . 25.0 104.423 172.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.1 mt -123.72 117.44 24.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 104.81 -2.293 . . . . 25.0 104.81 -170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -103.16 136.08 43.62 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 104.705 -2.332 . . . . 25.0 104.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.29 -4.6 2.23 Favored Glycine 0 C--O 1.214 -1.111 0 C-N-CA 120.415 -0.898 . . . . 25.0 113.73 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 19.51 -104.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 116.559 2.059 . . . . 25.0 116.559 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.62 171.94 54.08 Favored Glycine 0 C--O 1.244 0.733 0 N-CA-C 116.946 1.539 . . . . 25.0 116.946 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.14 164.33 37.21 Favored Glycine 0 C--O 1.247 0.911 0 CA-C-N 114.113 -1.043 . . . . 25.0 113.859 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.0 131.37 10.61 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 105.094 -3.202 . . . . 25.0 105.094 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.68 158.09 45.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.092 0.946 . . . . 50.0 111.335 -165.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -135.96 97.92 3.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -123.05 132.31 54.06 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -171.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.29 116.37 19.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 -17.83 71.69 Favored Glycine 0 C--O 1.228 -0.261 0 N-CA-C 116.136 1.214 . . . . 25.0 116.136 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' H ' HD22 ' A' ' 67' ' ' LEU . . . 64.24 -156.63 44.79 Favored Glycine 0 N--CA 1.425 -2.081 0 CA-C-O 125.43 2.683 . . . . 25.0 113.329 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 148.12 37.62 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 109.333 -3.433 . . . . 25.0 111.857 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -173.41 29.93 Favored Glycine 0 C--N 1.312 -0.778 0 CA-C-N 113.585 -1.643 . . . . 25.0 115.112 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -98.54 104.86 16.94 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 104.97 -2.233 . . . . 25.0 104.97 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -111.86 154.12 25.62 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 -170.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -121.62 110.2 15.7 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.6 mt -121.51 108.11 13.24 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -171.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 146.92 26.01 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.223 0.92 . . . . 25.0 111.903 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.01 17.05 0.81 Allowed Glycine 0 C--O 1.245 0.785 0 N-CA-C 117.602 1.801 . . . . 25.0 117.602 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 4.9 -116.92 0.01 OUTLIER Glycine 0 N--CA 1.465 0.586 0 N-CA-C 122.152 3.621 . . . . 25.0 122.152 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.31 145.99 54.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.593 -1.303 . . . . 25.0 109.854 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.77 162.63 26.93 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 115.167 -0.924 . . . . 25.0 113.758 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.91 73.7 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 153.64 42.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.323 -1.762 . . . . 50.0 108.136 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.3 m -118.16 95.96 5.12 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 169.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -88.92 124.12 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 103.271 -2.863 . . . . 25.0 103.271 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -121.08 140.31 52.14 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.177 -165.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -118.99 101.07 7.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.825 -1.08 . . . . 25.0 110.778 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 1.71 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 104.231 -2.507 . . . . 25.0 104.231 162.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -86.6 91.05 8.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.216 -1.356 . . . . 25.0 110.29 -176.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -85.48 -71.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -72.1 -16.68 62.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -75.99 -8.75 57.67 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-N 114.233 -1.349 . . . . 25.0 112.279 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.22 33.8 4.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.617 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -102.15 166.23 10.72 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.462 0.912 . . . . 25.0 113.462 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.24 156.83 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.8 p -150.67 167.6 26.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.772 -2.307 . . . . 25.0 104.772 171.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.25 65.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.26 -6.2 50.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.792 0.806 . . . . 25.0 111.976 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.77 148.94 4.85 Favored Glycine 0 C--N 1.316 -0.542 0 CA-C-N 115.001 -0.999 . . . . 25.0 113.375 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -118.95 143.04 47.25 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -125.56 92.41 3.6 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 p -121.79 177.76 5.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.29 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.91 110.76 15.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.22 104.49 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.63 125.86 40.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -101.52 165.51 11.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 22.66 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.588 2.07 . . . . 25.0 116.588 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -144.09 37.29 1.27 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.821 -1.536 . . . . 25.0 114.841 -169.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -137.34 68.94 54.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 117.485 2.402 . . . . 25.0 117.485 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.39 20.9 1.12 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 N-CA-C 110.0 -0.808 . . . . 25.0 110.0 163.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.0 p 59.09 4.52 0.44 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.872 1.669 . . . . 25.0 114.699 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -142.11 51.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.842 0.857 . . . . 25.0 109.116 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.13 154.09 22.22 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 104.466 -2.42 . . . . 50.0 104.466 172.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -111.08 131.6 54.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.085 0.945 . . . . 25.0 112.767 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -119.09 130.93 55.85 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -119.64 117.36 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -123.43 13.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.0 p -66.72 -29.14 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.999 -0.438 . . . . 25.0 111.85 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.08 -13.97 62.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.13 -14.35 38.95 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.93 -50.88 4.23 Favored Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 108.196 -1.962 . . . . 25.0 108.196 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.6 t80 65.48 171.45 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.931 1.292 . . . . 25.0 109.701 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 p -119.94 -31.33 4.5 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.37 -179.88 16.7 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 109.153 -1.579 . . . . 25.0 109.153 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -123.01 41.14 3.54 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.181 0.991 . . . . 25.0 111.489 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.91 55.44 4.52 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-N 115.415 -0.811 . . . . 25.0 114.578 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.52 28.31 16.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.57 7.35 84.61 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 117.873 1.909 . . . . 25.0 117.873 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -124.7 168.67 12.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.767 0.783 . . . . 25.0 109.693 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.04 37.98 26.62 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.886 0.874 . . . . 25.0 109.527 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.11 -12.84 16.89 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 115.269 0.868 . . . . 25.0 115.269 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.8 p -74.84 172.3 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.036 -0.685 . . . . 25.0 110.489 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.35 169.41 8.5 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.77 152.84 43.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.49 143.95 21.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -145.63 146.82 31.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.036 -1.839 . . . . 25.0 106.036 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.25 129.88 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -120.88 124.31 44.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -75.15 -24.84 58.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -67.93 -26.71 66.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.557 0.694 . . . . 25.0 109.698 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -99.51 -9.85 49.2 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.48 -1.048 . . . . 25.0 110.48 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.3 32.13 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.084 0.953 . . . . 25.0 111.239 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -131.61 153.69 49.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.762 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.9 t -123.92 106.02 10.09 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 104.139 -2.541 . . . . 25.0 104.139 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.26 145.27 24.8 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 111.47 -2.605 . . . . 25.0 109.156 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.97 126.5 37.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -157.66 166.79 31.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 t -115.36 153.15 31.52 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 103.007 -2.96 . . . . 25.0 103.007 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.88 1.05 2.73 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.1 -34.18 77.06 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.522 0.677 . . . . 25.0 110.6 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 42.2 p -134.46 138.65 44.92 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -177.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.94 -71.58 0.73 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.177 -1.374 . . . . 25.0 112.748 -176.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.03 -34.36 14.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.68 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 3.3 mp0 -68.48 -28.84 67.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.078 -1.419 . . . . 25.0 110.45 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.39 70.88 0.3 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.361 -2.296 . . . . 25.0 107.361 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 122.69 17.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.414 1.102 . . . . 25.0 108.462 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.5 p -120.0 166.06 13.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 112.876 -1.965 . . . . 25.0 110.413 -160.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -68.59 151.25 47.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -142.28 128.57 19.92 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 170.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.36 164.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.643 -1.614 . . . . 25.0 106.643 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -145.17 147.19 32.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.0 130.57 39.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.29 113.63 17.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.32 179.49 21.65 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.96 33.41 5.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 17.13 0.06 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.7 -30.09 65.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 170.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.1 57.24 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.332 -0.849 . . . . 25.0 109.477 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -123.97 41.72 3.42 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.224 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.53 122.32 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.0 p -161.34 165.08 29.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.052 0.453 . . . . 25.0 110.836 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -72.79 -31.31 64.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.006 -0.434 . . . . 25.0 110.191 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.73 -41.62 44.37 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.085 0.402 . . . . 25.0 111.998 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.2 mt -129.48 124.64 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -176.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.4 tp -95.91 133.0 40.62 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -139.18 168.79 19.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.72 31.56 3.35 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.386 0.612 . . . . 25.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.71 150.91 39.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.7 -2.76 12.36 Favored 'Trans proline' 0 C--N 1.352 0.756 0 N-CA-C 115.117 1.16 . . . . 25.0 115.117 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -120.26 131.85 24.3 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 105.708 -1.96 . . . . 25.0 105.708 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -73.49 -177.32 2.98 Favored 'Trans proline' 0 C--O 1.244 0.787 0 N-CA-C 115.856 1.445 . . . . 25.0 115.856 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.252 1.193 0 CA-C-O 116.475 -1.726 . . . . 25.0 107.238 178.182 . . . . . . . . 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' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.582 -0.155 . . . . 25.0 110.582 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.1 -15.75 43.56 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 116.234 -2.044 . . . . 25.0 113.734 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -41.87 59.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.534 0.206 . . . . 25.0 110.614 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -162.94 143.93 9.69 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.39 18.43 18.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.62 42.94 23.21 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.227 -0.897 . . . . 25.0 110.206 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -63.67 123.04 80.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.54 142.87 96.35 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 115.228 -2.714 . . . . 25.0 114.14 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.31 126.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -87.95 112.27 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-O 122.839 1.304 . . . . 25.0 108.196 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.26 2.1 Favored Glycine 0 C--N 1.316 -0.536 0 CA-C-N 113.387 -1.733 . . . . 25.0 109.572 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -136.04 175.13 9.88 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.987 -0.713 . . . . 25.0 110.215 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -87.23 3.66 45.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 172.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 tp -79.25 170.75 16.16 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 114.819 -1.082 . . . . 25.0 108.162 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 100.32 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.268 1.027 . . . . 25.0 108.461 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.35 121.53 31.7 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 109.425 -0.583 . . . . 50.0 109.425 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.76 95.27 5.39 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 165.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -134.51 153.62 51.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.472 -1.306 . . . . 25.0 107.472 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -128.07 149.15 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.859 0.838 . . . . 25.0 112.072 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.11 -40.97 1.73 Allowed Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.344 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 p 46.05 -142.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.965 -1.118 . . . . 25.0 111.323 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.91 -12.8 12.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.672 2.101 . . . . 25.0 116.672 -170.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 138.79 58.36 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 43.25 3.23 Favored Glycine 0 C--O 1.217 -0.931 0 N-CA-C 110.311 -1.116 . . . . 25.0 110.311 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.79 143.49 28.68 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 27' ' ' ILE . 3.9 tp10 -141.1 153.72 45.56 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 115.511 1.671 . . . . 75.0 115.511 -172.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.498 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 5.2 mp -86.11 141.0 15.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 113.374 -1.739 . . . . 25.0 112.497 -164.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -116.95 150.97 37.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.215 1.806 . . . . 25.0 106.195 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 78.5 0.05 OUTLIER Glycine 0 N--CA 1.465 0.58 0 C-N-CA 119.799 -1.191 . . . . 25.0 114.388 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -35.73 -76.08 0.06 OUTLIER Glycine 0 N--CA 1.459 0.174 0 N-CA-C 120.634 3.014 . . . . 25.0 120.634 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -174.77 9.49 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 115.564 0.985 . . . . 25.0 115.564 -172.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.38 167.8 6.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 116.105 1.202 . . . . 25.0 116.105 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 81.26 5.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -75.79 148.9 38.1 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.074 -0.966 . . . . 50.0 113.164 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -129.57 104.09 7.25 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.78 117.88 24.36 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 -170.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.2 136.42 47.89 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.37 -8.66 2.23 Favored Glycine 0 C--O 1.206 -1.618 0 N-CA-C 115.429 0.932 . . . . 25.0 115.429 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 19.87 -99.3 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 119.104 3.002 . . . . 25.0 119.104 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.9 54.64 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 115.996 1.158 . . . . 25.0 115.996 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.4 167.9 32.3 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.522 -0.631 . . . . 25.0 111.522 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.16 133.45 14.12 Favored Glycine 0 C--N 1.315 -0.59 0 N-CA-C 107.615 -2.194 . . . . 25.0 107.615 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -128.17 153.85 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.47 0.635 . . . . 50.0 110.614 -169.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 94.6 mt -138.76 98.01 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.39 140.2 53.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -167.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -141.53 159.87 41.33 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.767 -1.938 . . . . 25.0 105.767 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.66 33.19 1.08 Allowed Glycine 0 C--O 1.219 -0.806 0 C-N-CA 120.081 -1.057 . . . . 25.0 113.759 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 16.66 -129.71 0.01 OUTLIER Glycine 0 C--O 1.236 0.237 0 N-CA-C 120.816 3.086 . . . . 25.0 120.816 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 147.93 52.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.068 -2.066 . . . . 25.0 112.092 -174.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.4 -173.01 23.62 Favored Glycine 0 C--N 1.313 -0.695 0 CA-C-N 113.68 -1.6 . . . . 25.0 115.231 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -102.35 109.45 21.11 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 103.765 -2.679 . . . . 25.0 103.765 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -117.8 157.64 26.22 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.844 1.424 . . . . 50.0 114.844 -168.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -124.93 107.58 11.01 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -120.77 109.8 15.6 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.662 -0.209 . . . . 25.0 110.806 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.33 145.1 31.19 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 121.332 -0.855 . . . . 25.0 111.125 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.63 -6.98 1.26 Allowed Glycine 0 N--CA 1.462 0.412 0 N-CA-C 117.044 1.577 . . . . 25.0 117.044 -174.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.28 -125.24 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 125.162 2.534 . . . . 25.0 119.058 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.5 144.84 35.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.832 -3.184 . . . . 25.0 111.695 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.7 162.09 37.94 Favored Glycine 0 C--O 1.244 0.722 0 N-CA-C 115.862 1.105 . . . . 25.0 115.862 173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 69.01 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.25 -1.389 . . . . 25.0 107.25 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -68.13 158.92 32.03 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.25 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 m -118.37 96.41 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.774 0.797 . . . . 25.0 108.905 174.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -83.99 138.97 32.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -124.88 136.44 53.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.539 0.685 . . . . 25.0 111.962 -168.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -122.02 98.6 6.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.938 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.7 3.51 39.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 164.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 92.87 8.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.336 -1.302 . . . . 25.0 110.858 -175.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -86.45 -73.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.559 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -69.94 -19.15 63.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.715 1.245 . . . . 25.0 108.065 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -75.41 -10.3 59.33 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 114.232 -1.349 . . . . 25.0 112.233 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -130.43 37.7 3.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.643 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -102.76 163.81 12.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.469 0.652 . . . . 25.0 112.638 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -139.57 152.75 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -150.81 159.1 44.76 Favored 'General case' 0 C--N 1.319 -0.731 1 N-CA-C 99.45 -4.278 . . . . 25.0 99.45 168.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.43 74.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.875 0.761 . . . . 25.0 109.768 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.57 2.39 48.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.03 84.73 0.07 OUTLIER Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.882 -0.675 . . . . 25.0 114.019 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -102.8 121.86 43.34 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.564 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -126.01 92.31 3.56 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 p -121.81 173.55 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.015 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.96 112.37 19.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.66 105.43 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.44 125.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.05 165.62 11.06 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 21.92 79.28 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.937 2.199 . . . . 25.0 116.937 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.17 39.55 1.45 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.408 -171.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -136.56 69.41 60.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 117.475 2.398 . . . . 25.0 117.475 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.69 20.28 1.21 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 N-CA-C 110.072 -0.78 . . . . 25.0 110.072 163.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.3 p 58.42 5.41 0.44 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.832 1.653 . . . . 25.0 114.742 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.95 26.66 3.29 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.239 0.616 . . . . 25.0 111.241 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.38 154.47 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -111.83 132.41 54.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.866 0.841 . . . . 25.0 112.214 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.85 120.34 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -100.46 118.16 36.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.449 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.57 12.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -69.57 -23.73 63.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.892 -0.505 . . . . 25.0 110.987 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.54 -18.2 63.64 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.6 0.238 . . . . 25.0 111.196 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.82 -14.02 35.33 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.37 -48.8 4.12 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.922 -1.671 . . . . 25.0 108.922 -167.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 t80 68.85 167.57 0.28 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.553 1.541 . . . . 25.0 109.539 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -113.85 -33.51 5.75 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.01 178.97 15.89 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.042 -1.623 . . . . 25.0 109.042 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 tp -122.23 42.81 3.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.073 0.94 . . . . 25.0 111.098 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.45 56.39 4.43 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.299 -0.864 . . . . 25.0 114.189 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 57.5 27.69 14.41 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.73 8.6 84.27 Favored Glycine 0 C--O 1.229 -0.16 0 N-CA-C 117.704 1.842 . . . . 25.0 117.704 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -121.42 167.58 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.1 0.95 . . . . 25.0 110.002 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 57.1 38.29 29.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.837 0.855 . . . . 25.0 110.097 -175.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.01 -9.25 32.89 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 115.124 0.81 . . . . 25.0 115.124 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 p -76.85 170.9 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.785 0.793 . . . . 25.0 109.824 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.75 170.4 7.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.84 152.81 47.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.62 144.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 t -145.06 147.32 32.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.99 129.58 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -120.46 127.47 52.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -74.01 -26.7 60.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -67.67 -26.32 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.621 0.724 . . . . 25.0 109.996 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.57 -12.25 45.0 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.825 -0.91 . . . . 25.0 110.825 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 52.22 32.75 11.23 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.207 1.003 . . . . 25.0 110.746 -176.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -132.09 154.37 49.52 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.187 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.6 t -125.76 106.27 9.57 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -90.71 144.49 25.69 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 111.622 -2.536 . . . . 25.0 109.148 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.49 125.82 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.81 167.55 29.7 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -115.31 151.27 34.88 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.648 -3.093 . . . . 25.0 102.648 173.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.71 4.98 3.37 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.626 -0.715 . . . . 25.0 112.822 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.21 -34.02 77.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.527 0.68 . . . . 25.0 110.784 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.9 p -138.51 140.62 39.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.264 -2.124 . . . . 25.0 105.264 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -114.45 -74.08 0.63 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.81 -1.086 . . . . 25.0 113.358 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.2 13.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.213 1.006 . . . . 25.0 108.967 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.677 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 1.7 mp0 -68.22 -30.61 69.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.967 -1.47 . . . . 25.0 110.807 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.07 67.97 0.44 Allowed Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 105.521 -3.032 . . . . 25.0 105.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 115.41 5.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.215 1.483 . . . . 25.0 109.722 -173.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.1 p -104.97 -179.54 3.97 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 111.629 -2.532 . . . . 25.0 109.622 -163.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -91.35 153.91 19.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -175.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -145.49 130.77 18.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.588 . . . . 25.0 109.814 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -141.97 166.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.1 t -144.8 149.72 35.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.05 131.14 40.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -79.08 113.3 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.97 23.5 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 106.754 -2.539 . . . . 25.0 106.754 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -120.36 31.54 6.42 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 16.09 0.08 Allowed 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -174.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 106.385 -1.709 . . . . 25.0 106.385 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.03 -6.28 55.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.608 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -127.49 42.23 3.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.371 0.605 . . . . 25.0 110.014 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.96 124.84 37.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 86.4 p -165.72 173.03 11.15 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.51 -20.81 66.5 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.044 0.45 . . . . 25.0 110.926 176.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.57 -36.18 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.8 -39.55 14.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.476 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 20.7 mm -114.49 128.75 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -173.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.8 tp -99.9 126.55 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.717 -1.586 . . . . 25.0 106.717 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.14 168.09 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.84 32.21 3.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.256 0.551 . . . . 25.0 111.427 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.55 148.28 35.76 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.15 -7.18 20.18 Favored 'Trans proline' 0 C--N 1.353 0.775 0 N-CA-C 115.098 1.153 . . . . 25.0 115.098 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.78 130.36 23.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.86 -179.88 4.66 Favored 'Trans proline' 0 C--O 1.243 0.759 0 N-CA-C 115.155 1.175 . . . . 25.0 115.155 -173.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.254 1.31 0 CA-C-O 116.639 -1.648 . . . . 25.0 107.427 179.694 . . . . . . . . 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_