data_5tr5_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 5tr5 _Structure_validation_residue.Date_analyzed 2016-12-16 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 ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.19 121.52 54.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.99 148.9 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -93.02 127.94 38.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.27 136.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.235 0.54 . . . . 0.0 111.92 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -113.91 114.12 25.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.722 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -89.0 143.1 27.09 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.097 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.74 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -99.8 151.56 37.52 Favored Pre-proline 0 C--N 1.315 -0.911 0 CA-C-O 120.679 0.275 . . . . 0.0 111.195 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.34 126.85 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.813 2.342 . . . . 0.0 112.429 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -115.57 122.77 70.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.76 121.49 26.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.95 159.05 43.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.42 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.1 162.6 16.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.1 m -66.68 -28.14 68.22 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.309 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.76 4.27 54.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.735 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 m -67.79 114.34 6.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.0 m -69.87 151.22 45.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 HG22 ' HB2' ' A' ' 50' ' ' LEU . 50.2 mm -55.01 -44.32 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.459 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 31.5 t80 -65.1 -39.49 93.2 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.283 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG22 ' A' ' 29' ' ' VAL . 98.8 mt-30 -61.49 -42.13 98.32 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.161 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.11 -39.72 94.64 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.227 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -57.1 -45.79 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -31.16 71.78 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.19 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 25' ' ' GLN . 53.3 t -65.92 -49.96 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.205 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.48 -39.13 84.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.795 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -61.62 -38.19 86.72 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.394 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -68.83 -48.29 63.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.658 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -57.2 -48.57 78.45 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.439 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -101.51 6.08 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 54.52 37.11 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.245 -0.503 . . . . 0.0 113.278 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 31' ' ' ALA . 35.7 m -118.74 151.91 50.69 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.98 113.69 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.818 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -28.54 69.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.572 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -67.61 -22.01 65.37 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.051 0.453 . . . . 0.0 110.715 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -113.59 13.27 18.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.023 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -93.18 129.46 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.752 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -115.73 122.25 44.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.505 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.5 m -109.19 135.18 48.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -122.1 126.21 74.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.274 0.559 . . . . 0.0 111.653 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CD2' HD22 ' A' ' 50' ' ' LEU . 63.9 t80 -134.91 118.64 17.13 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.639 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.42 7.24 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.409 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.39 -28.12 10.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.854 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 170.42 8.28 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 122.659 -0.318 . . . . 0.0 111.365 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -92.78 141.26 28.64 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.493 HD22 ' CD2' ' A' ' 45' ' ' PHE . 94.4 mt -80.49 159.21 25.63 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -177.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.95 137.19 55.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.801 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.8 p-10 -71.39 -21.12 62.05 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.58 84.88 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.499 ' O ' ' HA ' ' A' ' 22' ' ' SER . 25.0 t-105 -171.85 161.08 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.083 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 19' ' ' SER . 63.0 p -67.53 140.43 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.519 0.512 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.977 0.417 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.93 -50.42 66.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.2 -1.28 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.551 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -96.7 -8.78 30.56 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.186 -0.321 . . . . 0.0 111.199 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 21.5 m-20 66.37 35.68 5.62 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 175.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.3 -14.98 63.38 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 120.444 -0.502 . . . . 0.0 112.064 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.31 -22.7 15.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.055 0.455 . . . . 0.0 110.348 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -95.34 -47.66 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.569 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 84.3 mm-40 . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -81.54 137.69 20.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.429 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -109.15 133.34 53.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -132.29 125.18 53.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 121.115 0.483 . . . . 0.0 110.98 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.33 141.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.247 179.052 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.7 ttt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.73 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.8 0.334 . . . . 0.0 110.409 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -111.81 153.13 13.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.01 134.83 34.45 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.144 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 67' ' ' VAL . 7.3 p -140.14 147.11 23.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.567 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -113.67 151.32 31.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 55.6 t80 -134.28 147.13 50.57 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 123.002 0.521 . . . . 0.0 112.319 -178.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -139.45 153.4 70.66 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-O 120.576 0.227 . . . . 0.0 110.648 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -88.75 138.73 3.72 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 122.37 2.047 . . . . 0.0 111.934 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.1 t -114.46 123.85 70.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.285 0.564 . . . . 0.0 110.411 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.5 102.13 11.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.405 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 m -116.32 -174.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -104.44 160.66 14.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.628 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -67.1 -11.17 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -114.46 16.36 17.73 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.592 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -76.5 118.99 19.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.821 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 25' ' ' GLN . 73.4 p -81.17 163.71 22.88 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.528 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -60.93 -31.14 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.974 0.416 . . . . 0.0 109.917 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 63.9 t80 -62.48 -49.03 77.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.966 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.4 mt-30 -67.88 -43.54 79.13 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.223 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.46 -40.34 74.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.22 -48.97 78.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.754 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.71 -37.93 89.26 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.587 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -57.52 -51.7 66.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.933 0.397 . . . . 0.0 110.419 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.31 -40.19 86.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.28 86.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.41 -37.89 88.31 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.162 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.13 -33.84 76.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.01 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -93.66 -16.65 24.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.446 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.51 41.01 10.3 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.118 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 m -129.2 157.54 75.75 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.92 -0.165 . . . . 0.0 110.774 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.43 120.41 7.54 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.349 2.032 . . . . 0.0 111.079 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.92 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.001 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -76.87 -26.5 54.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.058 0.456 . . . . 0.0 110.398 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -95.43 19.3 11.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -105.93 137.0 44.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.001 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -119.46 121.2 38.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.16 131.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.93 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -127.24 135.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.967 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -147.95 128.93 14.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.169 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 23.96 8.47 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.409 0.443 . . . . 0.0 111.969 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 1.75 78.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.318 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -125.99 177.29 6.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.145 0.473 . . . . 0.0 111.043 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -109.05 121.61 45.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.745 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.21 159.3 23.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.59 25.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.042 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.0 p-10 -64.58 -40.58 95.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.121 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.69 71.58 4.22 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.99 0.9 . . . . 0.0 110.82 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -155.69 138.76 15.5 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.202 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -78.52 143.2 36.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.114 0.483 . . . . 0.0 111.551 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG23 HD22 ' A' ' 61' ' ' LEU . 13.5 p -68.9 -23.12 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 57.1 tt0 -65.94 -57.03 8.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.739 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.58 0.07 24.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.794 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 10.6 t -96.76 -12.47 23.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 52.99 47.74 23.98 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 2.9 mm? -75.06 1.52 12.88 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.655 0.741 . . . . 0.0 109.85 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -75.79 -33.47 60.15 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.471 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -124.88 -38.05 2.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.037 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -177.605 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 tt . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HB ' HG23 ' A' ' 5' ' ' VAL . 26.3 t -81.39 130.52 35.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.728 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -100.92 108.29 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 30.7 mt -111.3 119.16 59.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 121.14 0.495 . . . . 0.0 111.143 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.86 147.78 23.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.282 -179.76 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.1 ttt . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.95 111.03 34.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 120.815 0.341 . . . . 0.0 110.67 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.72 168.95 2.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.823 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.414 ' C ' HG13 ' A' ' 66' ' ' ILE . 83.8 m-85 -117.76 135.49 54.01 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.502 ' O ' ' HA3' ' A' ' 12' ' ' GLY . 34.5 m -133.0 148.93 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 112.024 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.432 ' HE ' HG21 ' A' ' 66' ' ' ILE . 93.5 mtt180 -110.17 155.13 22.38 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -135.31 105.84 6.45 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.092 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.679 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.438 -1.192 0 CA-C-O 120.797 0.109 . . . . 0.0 113.184 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -139.44 154.0 71.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-O 120.517 0.199 . . . . 0.0 110.872 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.27 145.62 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.623 2.215 . . . . 0.0 112.021 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.22 122.03 63.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.97 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -93.14 113.53 25.79 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.69 176.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -85.45 168.67 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.276 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.04 -21.39 62.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.071 0.462 . . . . 0.0 111.148 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -109.69 35.5 3.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.004 0.431 . . . . 0.0 110.952 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -85.4 129.26 34.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.655 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 t -83.65 153.88 24.01 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.92 -39.07 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 120.836 0.35 . . . . 0.0 110.47 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.77 -43.95 97.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 29' ' ' VAL . 97.8 mt-30 -63.99 -47.84 78.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.04 -43.32 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.37 -46.9 85.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.16 -35.86 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.385 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.6 t -60.45 -45.7 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.214 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.31 -46.85 94.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.209 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.08 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.011 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -63.99 -42.16 97.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.952 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.81 -49.97 72.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.742 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.07 -10.88 56.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.93 51.57 6.22 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.439 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.96 157.27 78.67 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -80.21 126.94 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.612 2.208 . . . . 0.0 111.719 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.14 47.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.22 -55.1 37.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.137 0.494 . . . . 0.0 111.293 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -99.69 5.17 45.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.456 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.91 130.96 39.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.567 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -121.62 132.03 54.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.694 0.283 . . . . 0.0 110.681 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.18 127.7 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.826 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.11 126.18 73.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.742 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.62 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 43.5 t80 -119.62 108.5 14.55 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.674 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 65.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.101 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.17 -10.28 35.55 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.2 156.87 40.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.976 0.888 . . . . 0.0 112.267 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.82 168.63 17.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.102 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' SG ' ' A' ' 59' ' ' CYS . 24.4 mt -119.98 161.52 20.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.23 150.42 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.176 174.317 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -86.53 -24.37 25.53 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.71 70.74 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.685 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -164.43 156.9 16.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.189 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -68.86 143.9 54.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 112.961 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -80.79 -27.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.963 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 19.5 tm0? -63.78 -44.48 93.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.652 -176.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.65 -0.6 43.3 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.492 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.7 t -98.27 -14.37 20.3 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.986 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.79 39.64 4.63 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -65.77 -18.12 65.1 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.01 -0.96 49.89 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.036 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -101.41 -53.1 3.08 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 85.2 mm-40 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 120.906 0.384 . . . . 0.0 111.465 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG21 ' HE ' ' A' ' 6' ' ' ARG . 21.4 tt . . . . . 0 N--CA 1.433 -1.301 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HB ' HG11 ' A' ' 5' ' ' VAL . 20.1 t -84.09 133.96 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.601 0.239 . . . . 0.0 110.385 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -98.64 108.74 21.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.893 0.378 . . . . 0.0 110.366 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 49.2 mt -107.51 131.64 57.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.78 136.04 61.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.127 0.489 . . . . 0.0 110.974 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 C--N 1.31 -1.124 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.297 179.635 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.944 0.402 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt -126.84 114.71 38.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.864 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -93.82 145.88 7.29 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 120.983 0.42 . . . . 0.0 110.948 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -93.98 127.31 39.69 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.519 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.93 140.22 39.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.102 0.477 . . . . 0.0 112.275 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HG2' ' CA ' ' A' ' 12' ' ' GLY . 16.2 mtm180 -115.22 136.46 53.08 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.534 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -100.34 146.36 27.05 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.179 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' CA ' ' HG2' ' A' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.44 -1.067 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -138.8 146.24 49.32 Favored Pre-proline 0 C--N 1.312 -1.052 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -81.95 132.19 7.31 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.537 2.158 . . . . 0.0 112.426 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.231 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.93 132.63 36.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.105 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -129.13 -179.18 2.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.34 166.88 10.62 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 p -72.91 -2.72 21.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.881 0.372 . . . . 0.0 111.67 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -120.6 14.25 11.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.943 0.402 . . . . 0.0 110.758 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -78.7 117.43 19.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.145 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.6 m -80.92 152.58 28.0 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.1 mm -59.93 -29.78 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.024 0.44 . . . . 0.0 110.291 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.74 -44.38 97.02 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.778 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.554 ' O ' HG21 ' A' ' 29' ' ' VAL . 15.3 mm100 -71.84 -38.36 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.543 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.38 -39.68 84.09 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -59.32 -51.16 71.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.477 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 26.6 mt-10 -56.55 -50.63 71.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.739 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 25' ' ' GLN . 85.0 t -51.89 -52.49 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.382 0.426 . . . . 0.0 111.458 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.58 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.59 33.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.018 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 17.1 ptpt -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -65.5 -46.71 78.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 110.584 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -79.02 -30.7 44.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.238 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.22 34.09 4.65 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.05 164.98 15.87 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.64 112.9 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.62 2.213 . . . . 0.0 112.2 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.71 64.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.14 -36.85 83.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -114.87 23.8 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.265 0.555 . . . . 0.0 110.887 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.8 tp -96.14 137.05 35.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.63 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -119.59 136.1 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.4 m -106.06 132.0 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.282 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -128.41 132.25 68.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.83 128.24 20.03 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.27 17.06 9.95 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.978 0.511 . . . . 0.0 111.41 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 8.49 67.17 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.793 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.66 170.71 15.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 111.329 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.32 150.17 21.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.119 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' HG21 ' A' ' 23' ' ' ILE . 80.9 mt -102.08 146.73 27.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.004 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -61.51 121.42 12.67 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.041 176.046 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.533 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p30 -77.98 -31.66 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -85.5 -9.22 57.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 22' ' ' SER . 2.0 t90 -99.59 171.89 7.64 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.692 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -80.91 140.07 35.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.35 0.595 . . . . 0.0 112.598 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.03 -16.65 15.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.675 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -59.8 -43.89 94.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.32 -19.42 36.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.3 m -72.97 -36.98 67.21 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 60.34 91.01 0.06 Allowed 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.951 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.8 mt -113.81 12.65 18.29 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -93.43 -46.24 7.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.779 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -101.14 -17.21 16.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 120.784 0.326 . . . . 0.0 111.182 -178.591 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.8 tt . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.88 139.84 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -109.73 124.99 52.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -118.41 118.98 59.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 120.998 0.428 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.14 146.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.078 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.665 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 22.8 ptt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -116.01 121.79 68.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.649 0.261 . . . . 0.0 110.395 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -114.83 156.35 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.258 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.91 138.92 32.03 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.2 p -137.89 135.71 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.024 0.44 . . . . 0.0 111.256 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 30.5 mtp180 -105.58 121.65 44.41 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.675 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -95.96 150.57 20.31 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.155 178.82 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -114.65 148.21 39.83 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.7 127.52 10.28 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.707 2.271 . . . . 0.0 112.91 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG21 HH11 ' A' ' 33' ' ' ARG . 69.9 t -120.24 118.79 57.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.176 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.48 126.46 31.69 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.773 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.26 178.76 4.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -107.26 175.23 5.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 p -67.26 -32.89 74.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.31 0.576 . . . . 0.0 110.507 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.34 11.71 38.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.521 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.2 m -68.19 101.59 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 1.8 m -64.06 150.32 45.65 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 49.0 mm -56.58 -33.66 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.094 0.473 . . . . 0.0 110.108 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.88 -49.25 78.47 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.784 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.2 mt-30 -68.05 -39.98 82.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.868 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.96 -43.42 73.44 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HZ2' ' HB3' ' A' ' 27' ' ' LYS . 5.7 ttpm? -53.5 -44.96 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.115 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.45 -27.68 59.01 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.866 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.8 t -66.74 -41.04 87.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.484 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.28 -36.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.014 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.24 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.415 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -66.0 -32.62 74.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.734 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 HH11 HG21 ' A' ' 15' ' ' VAL . 58.5 ttt180 -66.57 -37.47 85.02 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.361 0.6 . . . . 0.0 110.379 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -93.34 -6.47 47.25 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.33 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.15 38.51 96.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.126 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.35 156.72 44.03 Favored Pre-proline 0 C--N 1.316 -0.85 0 O-C-N 122.904 -0.174 . . . . 0.0 110.872 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.17 109.75 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.514 2.142 . . . . 0.0 111.737 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.11 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.368 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.64 -36.07 81.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.28 21.55 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -100.5 140.01 35.37 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -128.74 129.54 45.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.454 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.16 132.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -134.41 127.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.272 0.558 . . . . 0.0 110.969 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 50' ' ' LEU . 86.3 t80 -148.88 141.77 24.71 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 11.32 7.44 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.405 0.441 . . . . 0.0 110.653 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.84 64.04 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.142 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.39 -173.93 3.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.371 0.585 . . . . 0.0 111.739 -178.326 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -79.18 142.0 36.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.198 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' HG22 ' A' ' 23' ' ' ILE . 85.5 mt -82.95 -166.49 1.35 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.633 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -97.53 96.01 8.02 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 24.3 m-80 -57.5 -32.44 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.69 4.71 50.72 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' SER . 13.2 t-105 -116.35 168.65 9.95 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.419 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -75.03 156.26 36.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.225 0.536 . . . . 0.0 112.017 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 61' ' ' LEU . 12.3 p -80.23 -30.61 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 48.9 tt0 -70.62 -43.39 69.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.148 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.35 -1.81 46.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.064 0.459 . . . . 0.0 110.629 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.22 -1.29 57.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.23 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 68.97 11.57 8.38 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.909 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 56' ' ' VAL . 61.5 mt -65.79 -16.86 64.19 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.959 0.409 . . . . 0.0 112.086 -177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.411 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 25.2 t70 -84.17 -28.45 27.37 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -101.49 -22.78 14.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.082 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 120.799 0.333 . . . . 0.0 111.591 -177.507 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 t -82.3 139.52 17.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.241 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -115.82 139.93 49.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.96 0.41 . . . . 0.0 110.529 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.4 124.58 41.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.456 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 148.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.308 -1.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.986 179.727 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 63.3 ttp . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.95 121.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 120.777 0.322 . . . . 0.0 110.758 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.3 135.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.79 143.08 32.03 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.536 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 12.1 p -141.09 140.17 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-O 121.147 0.498 . . . . 0.0 111.704 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -102.02 103.91 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 61.3 t80 -91.25 142.73 27.4 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.435 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.8 t30 . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.443 -0.844 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -92.87 152.37 41.53 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.643 0.259 . . . . 0.0 110.875 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -86.92 128.18 2.74 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.487 2.124 . . . . 0.0 112.988 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -110.8 119.5 59.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.965 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.1 119.26 23.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -123.09 165.8 18.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.38 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -94.56 160.93 14.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 49.7 m -68.33 -16.67 64.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.781 0.324 . . . . 0.0 111.599 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.94 13.94 24.44 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.571 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -71.38 108.86 5.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -63.9 152.54 39.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.932 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 54' ' ' TRP . 49.1 mm -62.24 -32.75 55.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 109.943 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.6 t80 -68.38 -40.18 81.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.4 mm-40 -69.06 -37.91 78.77 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.79 -38.36 78.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.896 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -58.75 -46.93 86.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.126 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.698 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 25' ' ' GLN . 98.9 t -57.42 -52.84 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 69' ' ' ILE . 59.3 t -65.62 -40.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.486 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 36' ' ' VAL . . . -63.55 -37.99 89.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -67.85 -47.72 68.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -62.37 -48.6 79.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.336 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -80.58 -33.04 36.34 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.524 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.78 44.46 4.51 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.53 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 28.6 m -125.82 157.1 70.1 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.63 119.31 6.32 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 111.387 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.85 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.52 -19.89 24.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 53.7 tp -61.14 131.4 50.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.545 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -106.43 133.08 51.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.319 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.73 130.66 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 111.074 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -129.45 135.28 61.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -138.75 126.57 22.25 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.251 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.82 18.29 9.6 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.11 0.564 . . . . 0.0 111.658 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.47 -0.05 65.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.852 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -126.61 176.11 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.289 . . . . 0.0 110.717 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -113.46 131.39 56.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.41 172.13 14.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.163 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -98.28 136.18 38.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.251 178.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.0 p30 -62.14 -26.16 68.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.46 10.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' O ' HG12 ' A' ' 23' ' ' ILE . 17.2 t-105 -109.61 161.32 15.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.49 0.186 . . . . 0.0 110.604 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 2.9 t -95.01 150.95 19.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.797 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.76 -28.02 29.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.735 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.6 tp-100 -71.35 -48.7 48.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -80.68 -2.55 47.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' THR . 9.2 t -94.31 -24.71 17.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.53 80.61 0.23 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.343 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.7 mp -102.29 -6.06 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.455 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 10.4 t0 -70.7 -44.95 65.91 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -112.12 -176.45 2.93 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.792 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 N--CA 1.472 0.632 0 O-C-N 123.57 0.543 . . . . 0.0 111.588 178.29 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 66' ' ' ILE . 13.9 tt . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 t -81.48 138.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.76 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -114.27 122.14 45.83 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 37.7 mt -122.93 118.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.109 0.48 . . . . 0.0 110.26 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 62.4 t -109.5 133.35 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.082 -177.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 50.0 tp60 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.893 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.659 0.266 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 59.6 mt -105.25 129.1 58.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.95 146.6 26.82 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.274 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -81.42 133.67 35.44 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.486 HG22 ' HB ' ' A' ' 67' ' ' VAL . 88.5 t -131.94 130.91 61.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.692 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 12.6 ptp180 -109.7 121.47 45.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.026 0.441 . . . . 0.0 110.289 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -96.62 126.88 42.1 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.469 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.363 0.601 . . . . 0.0 110.299 178.303 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.843 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -123.51 150.36 60.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-O 120.601 0.239 . . . . 0.0 110.949 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.3 129.7 7.76 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.473 2.115 . . . . 0.0 112.085 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.78 122.46 68.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.291 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.75 118.66 29.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.113 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.1 158.78 20.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.005 0.431 . . . . 0.0 111.434 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.66 163.09 13.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 p -61.63 -22.85 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.423 . . . . 0.0 111.16 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.94 18.33 17.34 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.2 m -75.01 111.06 9.84 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -72.4 150.27 43.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.76 -34.02 42.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.997 0.427 . . . . 0.0 110.482 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.74 -46.93 86.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.122 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.539 ' O ' HG22 ' A' ' 29' ' ' VAL . 81.8 mm-40 -67.79 -43.29 80.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.65 -43.6 80.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.46 -47.07 85.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.966 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.4 -39.27 91.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 25' ' ' GLN . 78.3 t -58.1 -49.06 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.67 0.271 . . . . 0.0 110.594 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.21 -37.89 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 92.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.64 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -68.07 -36.79 80.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.667 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.8 tmt_? -58.44 -41.98 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.952 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -91.44 -14.52 30.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.965 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.64 45.88 26.88 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.227 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.5 m -127.59 158.18 70.79 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 122.624 0.37 . . . . 0.0 110.306 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 36.4 Cg_endo -66.88 120.16 7.23 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.437 2.091 . . . . 0.0 111.798 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.69 -19.01 60.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.671 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.71 -45.07 94.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.362 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.29 20.55 12.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.0 tp -97.24 136.18 38.11 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -124.69 132.08 53.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.073 0.463 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.69 133.67 38.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.616 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -123.38 127.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.138 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 83.1 t80 -139.08 124.16 18.94 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.972 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.43 23.76 11.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.416 . . . . 0.0 112.048 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 12.21 63.89 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.308 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 18.6 ptpt -133.02 174.93 9.83 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.0 127.65 53.66 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.0 159.05 31.23 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -82.81 138.77 33.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.238 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.43 -29.24 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -93.88 62.59 3.17 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.333 0.587 . . . . 0.0 111.087 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.517 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 33.7 t-105 -162.89 158.27 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.289 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -79.14 144.16 34.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.283 0.563 . . . . 0.0 112.139 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.58 -28.27 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.405 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.81 -35.7 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.851 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.51 -18.29 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.444 . . . . 0.0 110.763 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.517 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 85.0 m -82.68 -20.68 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 11.7 m-20 58.76 71.95 0.56 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.293 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 10.4 mp -86.15 0.85 52.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.545 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.62 -3.23 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 0.0 110.558 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 15.0 mm100 -78.13 -39.35 41.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.101 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.559 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 ' HE ' ' A' ' 6' ' ' ARG . 17.2 tt . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 5' ' ' VAL . 21.5 t -90.84 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 12.0 m170 -107.56 131.95 53.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.1 120.79 41.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.111 0.481 . . . . 0.0 110.508 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -122.15 147.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.855 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.312 -1.026 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.15 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 27.0 ttt . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.38 117.23 54.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.363 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.84 151.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.919 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -88.88 140.72 29.15 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.088 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 59.8 t -132.24 133.38 60.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 111.513 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -110.96 107.8 17.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.557 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.81 143.86 31.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 N--CA 1.481 1.121 0 C-N-CA 123.194 0.597 . . . . 0.0 112.424 -177.85 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CE1' HG22 ' A' ' 15' ' ' VAL . 7.0 p90 -140.08 159.51 63.94 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 116.692 0.246 . . . . 0.0 110.916 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.05 128.94 6.67 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.761 2.307 . . . . 0.0 111.451 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 HG22 ' CE1' ' A' ' 13' ' ' PHE . 58.3 t -109.19 122.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.62 113.72 26.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.547 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.26 -179.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -98.31 175.32 6.1 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.998 0.427 . . . . 0.0 110.713 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 6.1 p -80.31 -3.46 49.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 110.522 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -115.26 14.15 16.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.9 m -79.41 102.54 8.77 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 121.142 0.496 . . . . 0.0 110.998 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 7.3 m -66.49 152.66 44.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 47.4 mm -57.22 -31.86 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 59.5 t80 -63.84 -47.03 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.396 0.617 . . . . 0.0 109.421 176.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 29' ' ' VAL . 15.0 mm100 -66.25 -38.91 89.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.445 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -54.25 -45.97 72.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.73 -46.09 88.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.62 -34.14 76.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.153 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 25' ' ' GLN . 95.0 t -61.0 -47.99 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.035 0.445 . . . . 0.0 109.808 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.67 -38.44 80.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.7 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.56 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -75.27 -24.67 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.362 . . . . 0.0 110.988 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.187 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.72 -19.3 20.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.617 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.59 46.83 6.23 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.736 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.48 154.05 62.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.471 0.177 . . . . 0.0 110.594 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.43 115.65 3.64 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.602 2.201 . . . . 0.0 111.826 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.26 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.986 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 0.0 110.475 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.05 26.28 10.57 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.732 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.0 tp -122.11 142.97 49.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.726 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -133.77 136.49 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 0.0 111.472 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.04 134.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.395 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.9 135.91 62.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.288 0.566 . . . . 0.0 111.216 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' CD2' HD21 ' A' ' 50' ' ' LEU . 88.9 t80 -152.28 128.27 10.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.268 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.56 21.88 12.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.364 0.415 . . . . 0.0 111.882 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.99 -3.0 76.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.087 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -126.15 -175.66 3.43 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.56 140.98 39.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 23' ' ' ILE . 86.6 mt -76.42 150.82 36.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.38 0.609 . . . . 0.0 111.843 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 9.2 ptm180 -61.77 108.89 1.08 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.519 -1.219 . . . . 0.0 110.388 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.5 p30 -60.45 -22.54 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.215 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.09 -18.52 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.546 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 17.4 t-105 -93.22 157.67 16.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.761 0.315 . . . . 0.0 111.747 -175.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 4.4 t -86.09 145.74 26.92 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.812 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.47 -29.2 30.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.99 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -63.92 -54.15 39.21 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.53 -176.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -71.31 -19.71 62.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.594 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.4 -15.71 59.88 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.038 0.447 . . . . 0.0 110.317 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.6 m-20 54.84 50.49 15.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.159 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.22 -27.31 63.81 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.975 0.417 . . . . 0.0 110.784 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.37 -26.89 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.887 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -102.65 7.14 39.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.958 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 75.8 mm-40 . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.914 0.387 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 58.6 t -84.28 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -116.31 151.33 36.07 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.6 mt -139.11 123.09 19.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.933 0.397 . . . . 0.0 110.56 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -107.17 144.0 16.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.313 -0.988 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.195 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.428 HG12 ' HG2' ' A' ' 16' ' ' GLU . 77.8 mt -100.03 117.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.08 155.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' C ' HG13 ' A' ' 66' ' ' ILE . 76.3 m-85 -92.18 130.02 37.99 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.78 129.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.264 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.484 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.5 ptp180 -114.89 119.45 36.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.149 0.499 . . . . 0.0 109.723 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -91.29 145.93 24.24 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.38 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.489 1.51 0 C-N-CA 124.368 1.067 . . . . 0.0 112.909 177.432 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.219 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -116.61 154.86 49.28 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.4 125.49 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.729 2.286 . . . . 0.0 112.522 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -112.92 117.03 54.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.815 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HG2' HG12 ' A' ' 2' ' ' ILE . 2.1 tm-20 -90.69 113.75 25.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.192 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.26 -174.33 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.444 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -94.21 168.22 11.05 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.483 ' HB3' ' OE1' ' A' ' 57' ' ' GLN . 66.3 m -83.27 7.76 15.43 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.491 0.662 . . . . 0.0 109.653 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.97 4.23 8.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.971 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -67.73 114.91 6.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 15.9 m -69.46 148.67 49.22 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 50.2 mm -54.58 -36.68 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 56.3 t80 -64.57 -41.97 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 0.0 110.232 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.584 ' O ' HG21 ' A' ' 29' ' ' VAL . 27.4 mt-30 -65.17 -41.96 94.13 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.376 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.235 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.14 -40.28 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.049 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.9 -35.55 80.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 25' ' ' GLN . 79.9 t -64.95 -49.9 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.259 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.87 -36.68 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.22 60.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.384 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HZ1' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -71.57 -29.6 64.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 111.001 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -64.38 -38.89 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.241 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.02 -20.15 16.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.766 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.56 45.83 5.39 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.94 157.5 63.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 C-N-CA 122.2 0.2 . . . . 0.0 110.565 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 113.66 3.41 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.414 2.076 . . . . 0.0 112.063 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -28.45 68.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.896 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.74 -40.89 79.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.154 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -94.69 16.36 15.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.56 136.84 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.701 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -122.84 131.12 53.61 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.568 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.38 116.15 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.158 0.504 . . . . 0.0 110.61 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.97 136.39 54.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.306 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -128.25 107.23 9.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.46 -63.58 0.34 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.973 0.796 . . . . 0.0 111.187 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.03 2.22 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -120.76 179.0 4.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.353 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -121.93 131.13 53.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HB2' HG23 ' A' ' 23' ' ' ILE . 27.7 mt -71.4 142.09 50.32 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.852 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -57.8 113.31 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.701 177.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 p-10 -56.7 -33.01 66.04 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.74 17.36 19.51 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.605 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' SER . 6.7 t90 -117.69 166.47 12.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.148 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -68.95 144.32 54.19 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -79.09 -20.75 12.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.416 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 19' ' ' SER . 24.3 tt0 -58.69 -47.17 85.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.493 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 13.4 t-20 -85.05 8.06 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.333 0.587 . . . . 0.0 110.903 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 23' ' ' ILE . 84.4 m -93.29 -15.76 25.46 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.38 38.14 27.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.578 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 67' ' ' VAL . 51.0 mt -71.83 2.83 4.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.439 0.638 . . . . 0.0 111.109 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.01 -18.43 13.36 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.479 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -107.34 -51.73 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -175.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.484 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.0 tt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.2 t -88.16 132.64 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 9.4 m170 -106.68 108.59 20.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.15 119.92 53.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.29 0.567 . . . . 0.0 111.548 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.88 140.05 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.818 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 C--N 1.318 -0.783 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.373 176.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 87.2 mt -82.94 112.1 20.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.68 168.23 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.302 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' C ' HG13 ' A' ' 66' ' ' ILE . 28.2 m-85 -104.46 125.3 50.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.126 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.25 142.84 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.654 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -130.3 122.17 27.46 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.369 0.604 . . . . 0.0 110.842 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -87.25 152.25 22.46 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.198 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.166 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -139.13 143.11 35.35 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-O 120.771 0.32 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.57 137.55 14.64 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.363 2.042 . . . . 0.0 111.938 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.75 119.25 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.972 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 41.7 tt0 -84.42 111.97 19.94 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.95 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.24 174.39 4.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.07 162.26 28.69 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 m -62.0 -25.97 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.376 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 70.84 1.08 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.954 0.883 . . . . 0.0 111.326 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -103.83 107.39 18.24 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.038 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -61.27 144.66 53.44 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 44.8 mm -54.1 -32.38 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 120.797 0.332 . . . . 0.0 111.184 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.424 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.8 t80 -62.44 -48.96 77.36 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.069 0.461 . . . . 0.0 110.03 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.0 mm100 -67.03 -39.43 86.99 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.446 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.44 -41.75 76.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.25 -42.71 91.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.038 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.32 -31.82 66.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.955 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -59.45 -46.72 92.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.99 0.424 . . . . 0.0 110.402 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.96 -39.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.225 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.99 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.614 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -66.61 -40.36 88.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.258 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -61.6 -37.86 85.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.912 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -94.6 -11.7 28.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.899 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 45.21 66.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.64 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.95 156.78 61.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.55 0.214 . . . . 0.0 110.783 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.7 125.0 11.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.291 1.994 . . . . 0.0 111.729 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.16 48.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.486 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.94 -51.61 31.37 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.083 0.468 . . . . 0.0 110.344 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -90.64 11.3 22.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.723 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -95.67 135.2 37.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.213 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -121.48 141.07 51.38 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.887 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.411 HG13 HG12 ' A' ' 69' ' ' ILE . 34.8 m -118.02 130.99 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 39.8 mm -124.65 132.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 75.6 t80 -151.4 135.72 16.83 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.0 18.68 4.87 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -5.97 79.32 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.285 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -170.31 3.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.58 151.05 20.35 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.399 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HB2' HG22 ' A' ' 23' ' ' ILE . 94.4 mt -97.66 159.1 15.13 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.061 0.458 . . . . 0.0 110.911 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 7.8 ptm180 -63.46 122.84 17.24 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.636 175.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.503 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p30 -66.54 -22.34 66.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -92.47 17.42 10.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.524 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 23.8 t-105 -119.59 150.73 39.81 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.149 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -73.05 150.22 42.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.848 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.17 -31.1 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.591 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' SER . 26.3 tp60 -60.77 -34.46 74.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.293 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -81.69 -17.3 48.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.56 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 61.1 m -97.47 -16.24 20.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 57.45 64.32 1.62 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 10.2 mp -83.2 8.52 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 110.765 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -115.07 0.53 13.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.982 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -119.16 -64.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.172 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -174.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.449 HG13 ' C ' ' A' ' 4' ' ' PHE . 17.0 tt . . . . . 0 N--CA 1.436 -1.169 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -80.89 111.04 17.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 12.1 m170 -84.26 110.33 18.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.332 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.411 HG12 HG13 ' A' ' 43' ' ' VAL . 25.1 mt -114.38 128.59 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 120.977 0.418 . . . . 0.0 111.511 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -133.2 154.26 39.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.931 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.207 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.936 0.398 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.47 118.11 49.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -104.0 156.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.496 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -101.96 138.83 38.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.886 0.374 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.87 129.5 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-O 121.487 0.66 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -106.45 101.92 11.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.681 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.86 121.24 25.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.68 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 121.4 0.619 . . . . 0.0 109.812 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.882 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -94.34 154.44 40.35 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-O 120.688 0.28 . . . . 0.0 111.501 -175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.67 135.32 4.14 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.032 2.488 . . . . 0.0 112.43 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.87 130.71 74.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.343 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.93 133.16 34.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.041 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.42 172.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.86 168.26 9.4 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -64.96 -19.19 65.84 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.988 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.12 7.24 21.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.678 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -64.24 111.47 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 111.136 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 22.9 m -72.71 153.66 41.06 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.944 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.31 -33.81 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.036 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 67.2 t80 -60.45 -46.5 89.84 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.986 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' HG21 ' A' ' 29' ' ' VAL . 32.6 mm-40 -64.62 -44.58 90.09 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.135 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 tp -57.5 -42.05 81.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.98 -46.02 89.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.869 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.15 -39.68 93.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.369 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 25' ' ' GLN . 90.0 t -59.01 -48.03 88.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.998 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.61 -37.96 75.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -53.52 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.672 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 62.8 pttt -66.63 -30.15 70.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.93 -31.12 69.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -101.41 -3.17 29.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.388 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.62 34.0 63.31 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.664 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.97 157.55 48.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 O-C-N 122.654 -0.321 . . . . 0.0 111.021 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.94 127.79 12.53 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.338 2.025 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.42 45.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 111.15 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.2 -35.02 75.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.636 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -107.59 25.68 11.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.31 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.3 tp -103.96 137.86 41.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.48 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -107.34 139.48 41.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.226 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 m -120.68 118.31 56.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.224 0.535 . . . . 0.0 110.939 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -122.23 136.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -145.54 126.6 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.612 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.15 25.17 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.418 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.36 -8.55 77.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.131 -0.557 . . . . 0.0 113.526 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.53 35.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.123 0.461 . . . . 0.0 111.772 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.55 140.25 39.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -87.06 133.95 33.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.63 133.37 54.77 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.5 p30 -65.4 -28.95 69.62 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -102.62 73.01 1.27 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.57 0.7 . . . . 0.0 111.171 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' SER . 57.7 t-105 -157.44 150.68 23.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.524 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -78.17 138.67 38.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.501 0.667 . . . . 0.0 111.908 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -74.8 -22.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.571 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.02 -42.68 80.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.87 -6.52 49.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 111.099 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -88.43 -16.71 32.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.649 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 11.5 m-20 49.76 51.63 16.14 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.06 -24.09 65.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.722 0.296 . . . . 0.0 111.277 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.28 -32.0 73.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -99.6 -37.4 9.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.25 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 67.6 mm-40 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 0.0 111.152 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.92 129.4 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.724 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -100.7 108.54 20.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.027 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -116.23 124.43 72.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -135.4 148.63 28.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.444 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.396 -179.521 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.63 123.0 48.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -111.66 165.97 6.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' C ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -111.6 137.33 49.6 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 67' ' ' VAL . 34.5 m -134.49 145.32 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-O 121.309 0.576 . . . . 0.0 111.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -104.3 147.94 26.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.636 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.2 143.12 50.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.32 -0.702 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.083 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -139.85 150.62 63.26 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.985 0.393 . . . . 0.0 111.541 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -80.29 139.79 13.36 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.732 2.288 . . . . 0.0 112.13 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.48 127.03 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.72 116.12 23.06 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.24 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.21 174.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.69 176.21 5.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.967 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -70.18 -35.1 73.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.906 0.384 . . . . 0.0 111.23 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -97.04 10.95 37.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -66.89 116.38 7.69 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.274 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -71.13 150.44 45.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.521 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.8 mm -60.61 -38.87 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.188 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.64 -40.82 96.11 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 mm100 -66.26 -39.87 89.78 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.984 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.97 -48.59 81.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.44 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.98 -37.46 82.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 109.613 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -65.5 -43.08 91.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.154 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 25' ' ' GLN . 84.0 t -60.99 -48.6 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.59 -36.77 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.865 0.364 . . . . 0.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.73 31.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.148 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 48.5 pttt -66.24 -30.43 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.276 . . . . 0.0 111.238 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -63.76 -47.45 80.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.838 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -82.61 -15.53 51.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.95 29.46 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.72 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -118.35 163.0 27.35 Favored Pre-proline 0 C--N 1.317 -0.832 0 C-N-CA 122.285 0.234 . . . . 0.0 110.414 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.08 119.05 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.671 2.248 . . . . 0.0 112.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.77 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.83 -52.99 61.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.365 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -106.19 32.18 4.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.296 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.1 tp -96.69 130.82 43.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -116.4 122.52 45.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.901 0.381 . . . . 0.0 111.274 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.79 119.98 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -115.7 128.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 0.0 111.217 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -133.7 122.15 22.97 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.224 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.19 15.57 8.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.124 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.63 -2.52 49.32 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.26 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -132.15 170.33 15.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.968 0.384 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.29 136.66 39.83 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD12 HD13 ' A' ' 61' ' ' LEU . 75.6 mt -71.28 154.02 41.95 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.554 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' HB3' ' A' ' 54' ' ' TRP . 5.4 ptm180 -65.32 108.56 1.97 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.712 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p30 -65.83 -21.04 66.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.421 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.96 4.97 48.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.464 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.2 t-105 -115.1 177.23 4.73 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.654 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -83.94 160.59 21.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.115 0.566 . . . . 0.0 111.619 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.38 -38.05 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.21 -32.51 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.979 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -67.99 -17.14 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.0 110.174 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.9 t -88.38 -15.58 35.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.187 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 56.37 47.14 19.62 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.597 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD13 HD12 ' A' ' 50' ' ' LEU . 4.1 mm? -51.54 -56.24 14.57 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -26.0 68.11 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.048 0.452 . . . . 0.0 111.818 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.77 11.12 30.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.011 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 4' ' ' PHE . 19.6 tt . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' HB ' HG12 ' A' ' 5' ' ' VAL . 18.0 t -86.01 136.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.639 0.256 . . . . 0.0 110.586 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -99.94 107.99 20.11 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 mt -105.77 119.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-O 121.117 0.484 . . . . 0.0 110.933 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -124.65 137.65 56.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.8 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 120.878 0.37 . . . . 0.0 110.527 178.344 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.091 0.472 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.86 113.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.57 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.44 157.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.04 136.46 34.3 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.682 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 67' ' ' VAL . 46.6 t -133.53 130.23 56.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.689 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 57.0 mtp180 -103.68 103.2 13.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.313 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -80.95 134.72 35.76 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 N--CA 1.468 0.443 0 C-N-CA 123.468 0.707 . . . . 0.0 109.345 -178.156 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -120.51 147.17 44.84 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.7 132.0 22.5 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.473 2.115 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -117.71 125.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.394 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.82 121.86 35.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.88 0.372 . . . . 0.0 111.316 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.87 171.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.455 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.44 168.99 12.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.8 p -64.2 -39.32 93.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.231 0.539 . . . . 0.0 111.63 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.0 17.3 8.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.076 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.08 123.89 23.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.051 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 84.0 p -79.13 160.96 26.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 50' ' ' LEU . 48.9 mm -60.68 -30.11 46.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.893 0.378 . . . . 0.0 110.61 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 76.3 t80 -66.56 -46.67 75.29 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 29' ' ' VAL . 57.6 mt-30 -61.58 -44.04 97.75 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.04 -44.56 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.418 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.42 -37.26 86.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 25' ' ' GLN . 85.1 t -61.44 -46.1 97.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 110.092 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.74 -37.59 69.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.469 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -51.99 67.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.177 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -69.16 -28.4 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 110.656 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -65.95 -33.33 75.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.852 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -102.21 -7.1 22.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.144 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.75 41.95 81.32 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.855 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.83 161.79 44.57 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.107 0.163 . . . . 0.0 110.804 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.59 127.65 9.75 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.669 2.246 . . . . 0.0 111.697 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.0 -13.5 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.31 -58.33 8.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.116 0.484 . . . . 0.0 110.592 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -92.86 19.87 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.566 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.2 tp -92.98 125.61 37.66 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.483 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -105.97 132.97 51.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.543 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.21 127.47 67.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.5 mm -124.48 126.15 71.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 111.023 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 88.8 t80 -135.9 120.0 17.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.65 21.28 9.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.11 0.481 . . . . 0.0 110.982 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.6 11.73 70.78 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.936 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -142.93 159.99 41.19 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.14 148.05 25.37 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' HG21 ' A' ' 23' ' ' ILE . 90.3 mt -95.92 157.23 15.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.288 0.566 . . . . 0.0 111.574 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.07 117.69 5.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.947 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 4.0 p-10 -57.93 -29.82 65.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.5 79.68 1.27 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.396 0.617 . . . . 0.0 111.533 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' A' ' 22' ' ' SER . 48.5 t-105 -165.13 143.25 6.25 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.734 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.45 128.37 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.276 0.56 . . . . 0.0 112.17 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG23 HD22 ' A' ' 61' ' ' LEU . 11.9 p -68.48 -25.0 30.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -42.36 84.01 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.605 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.26 -19.66 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.425 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 75.8 m -77.61 -17.59 57.65 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.49 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 68.64 27.77 5.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.048 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 56' ' ' VAL . 10.4 mp -64.09 -17.11 63.1 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.33 -40.18 64.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.192 0.52 . . . . 0.0 110.231 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -88.97 -32.23 17.74 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.184 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.5 tt . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HB ' HG22 ' A' ' 5' ' ' VAL . 8.2 t -87.26 132.78 31.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.905 -177.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' NE2' ' HD3' ' A' ' 6' ' ' ARG . 12.3 m-70 -106.19 108.27 19.69 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.3 mt -109.48 117.9 55.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.3 t -113.94 136.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 120.787 0.327 . . . . 0.0 110.726 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.732 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 25.9 ttt . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 120.937 0.399 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.3 mt -96.26 119.65 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -118.09 150.56 20.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -93.3 140.15 29.87 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.41 138.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.133 0.492 . . . . 0.0 111.754 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -110.44 116.88 32.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.754 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -91.28 151.91 20.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.052 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.9 t30 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.807 0.843 . . . . 0.0 112.302 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 CA-C-O 120.958 0.199 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -134.0 145.6 56.45 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.89 135.83 10.21 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.35 2.033 . . . . 0.0 112.687 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.12 123.01 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.396 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.41 109.58 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.527 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.86 164.38 8.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.51 156.95 16.12 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 m -64.31 -9.41 17.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.86 7.87 12.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.204 0.526 . . . . 0.0 111.07 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.34 108.06 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.414 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 155.63 40.09 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.021 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.46 -36.92 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 120.866 0.365 . . . . 0.0 110.697 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 71.9 t80 -62.21 -45.32 93.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.988 176.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.542 ' O ' HG21 ' A' ' 29' ' ' VAL . 82.0 mm-40 -63.18 -43.85 97.07 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.36 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -57.29 -44.35 83.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.064 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpp -61.14 -42.73 99.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.142 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.39 -37.14 82.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.175 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 25' ' ' GLN . 65.9 t -59.98 -51.04 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.05 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.737 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 59.6 pttt -65.44 -34.62 78.72 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.502 0.191 . . . . 0.0 111.471 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -61.55 -42.78 99.33 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.16 -7.25 42.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.53 40.41 59.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.353 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.73 154.45 48.05 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.27 115.99 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.415 2.077 . . . . 0.0 112.076 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.85 64.89 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -71.99 -21.82 61.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -107.74 10.91 28.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.523 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.96 137.5 42.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.568 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -123.88 133.1 53.83 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.349 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.51 128.9 62.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.093 0.473 . . . . 0.0 110.71 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.95 119.58 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.776 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 76.6 t80 -117.55 116.45 27.13 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.91 20.42 12.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.196 0.522 . . . . 0.0 111.34 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.18 4.12 69.07 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.001 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -129.47 171.81 12.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.134 0.492 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.2 143.02 36.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.974 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 mt -98.43 -166.8 1.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.732 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -101.83 122.82 44.7 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.9 p-10 -56.2 -36.08 68.01 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -173.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.51 17.8 10.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -110.96 150.79 28.73 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.948 -0.47 . . . . 0.0 110.469 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.67 148.68 51.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.49 0.662 . . . . 0.0 112.233 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.423 ' CG2' HD23 ' A' ' 61' ' ' LEU . 11.9 p -74.25 -24.36 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.5 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.449 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -63.69 -57.77 8.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.005 -178.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -64.62 -17.61 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.257 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.0 m -80.37 -8.18 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.154 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 51.06 58.55 5.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.62 0.768 . . . . 0.0 112.795 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -70.3 -57.79 4.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.737 0.303 . . . . 0.0 111.13 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.08 -35.63 59.78 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.305 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -75.29 -38.34 60.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.216 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.371 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 61' ' ' LEU . 13.0 t -85.6 139.17 17.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -112.4 108.2 17.27 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.55 118.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 121.044 0.449 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 8.8 p -120.36 135.85 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.971 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--N 1.312 -1.046 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.8 178.772 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.933 0.397 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -99.19 122.3 50.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.0 147.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' C ' HG13 ' A' ' 66' ' ' ILE . 93.9 m-85 -92.38 129.08 38.41 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.317 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -139.63 135.35 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.414 0.626 . . . . 0.0 112.409 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 89.0 mtt180 -107.89 108.92 20.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.055 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -80.57 127.13 32.1 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 CA--C 1.536 0.437 0 O-C-N 123.631 0.582 . . . . 0.0 109.612 -178.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -137.87 149.92 65.94 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.19 112.3 0.57 Allowed 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.816 2.344 . . . . 0.0 112.968 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -99.14 124.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.035 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.89 117.39 30.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -124.17 -179.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.355 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -92.52 172.06 8.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -63.8 -37.32 86.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.116 0.484 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.03 69.24 1.3 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.498 0.666 . . . . 0.0 109.628 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -119.75 111.83 18.5 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.136 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 21.4 m -73.12 151.12 41.73 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -57.03 -34.13 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.53 -49.69 75.52 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.176 0.513 . . . . 0.0 109.847 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.7 mt-30 -65.62 -43.14 90.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.366 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.37 -42.58 82.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -60.66 -45.04 95.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.937 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' OE1' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -68.11 -33.42 74.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.959 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -62.96 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 110.18 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -37.19 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.155 0.503 . . . . 0.0 110.17 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.02 83.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.62 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.94 -30.58 69.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.368 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -65.4 -51.53 59.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.677 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -82.92 -13.94 55.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.608 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.63 47.69 14.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.714 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.9 m -126.03 154.85 73.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 C-N-CA 122.126 0.17 . . . . 0.0 110.646 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.25 112.18 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.768 2.312 . . . . 0.0 112.309 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . . . -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.63 -31.09 69.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -102.23 21.06 15.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.32 144.85 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.737 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -131.18 134.91 46.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.445 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.6 m -102.98 123.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.004 0.431 . . . . 0.0 111.975 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -119.21 131.54 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.08 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -119.73 110.56 16.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.66 -66.25 0.25 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.747 0.819 . . . . 0.0 111.636 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.02 17.38 0.22 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.689 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 164.62 33.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.17 159.68 14.77 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.778 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.46 151.47 24.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 152.98 43.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -81.33 -26.53 35.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.942 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.84 74.36 1.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.567 0.699 . . . . 0.0 111.294 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.0 t-105 -165.73 148.87 7.73 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.53 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 t -80.47 143.65 33.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.312 0.577 . . . . 0.0 111.804 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG22 HD23 ' A' ' 61' ' ' LEU . 11.2 p -73.54 -24.83 20.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.9 -45.9 90.35 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.431 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -16.08 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 -178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.8 m -87.71 -22.91 24.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 59.2 48.17 10.73 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.305 0.642 . . . . 0.0 112.416 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 HG22 ' A' ' 56' ' ' VAL . 6.5 mp -71.65 0.33 8.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.027 0.442 . . . . 0.0 111.438 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.23 -19.92 19.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -106.83 -34.59 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.552 178.671 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 18.5 tt . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.173 0.511 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 t -85.59 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.209 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -118.59 107.52 13.84 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.5 mt -95.56 119.15 43.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -106.41 135.0 46.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.538 HE22 ' HB ' ' A' ' 36' ' ' VAL . 20.2 tt0 . . . . . 0 N--CA 1.437 -1.117 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.39 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.54 0.21 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.9 mt -110.19 110.7 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.03 162.62 3.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -105.19 143.26 33.62 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.83 139.65 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.891 0.377 . . . . 0.0 111.691 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -109.6 97.41 6.97 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -83.44 141.88 31.37 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.545 0.688 . . . . 0.0 109.742 178.769 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.17 0 N-CA-C 112.964 -0.054 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -123.89 147.72 54.68 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.19 131.33 12.86 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.688 2.259 . . . . 0.0 113.173 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.48 119.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.242 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.17 125.92 30.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.811 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.94 158.93 41.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.26 160.47 18.43 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -69.25 -24.64 64.02 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.93 -0.5 57.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -70.67 120.8 16.82 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -80.64 156.25 26.46 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 50' ' ' LEU . 49.3 mm -56.47 -38.56 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.733 0.302 . . . . 0.0 110.664 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.4 t80 -59.22 -44.27 92.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.1 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' O ' HG22 ' A' ' 29' ' ' VAL . 77.5 mm-40 -66.46 -48.08 71.05 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.24 -43.56 78.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 86.7 tttt -57.58 -47.58 81.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.027 177.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.17 -37.44 78.18 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.733 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 25' ' ' GLN . 78.6 t -59.23 -49.87 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.568 0.223 . . . . 0.0 110.849 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.57 -45.6 98.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.174 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.61 95.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.33 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -65.79 -41.24 92.22 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.276 0.63 . . . . 0.0 110.778 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -61.91 -45.07 95.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.737 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -85.37 -21.54 28.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.625 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 43.37 6.08 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.955 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.78 154.6 55.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.38 117.57 4.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.483 2.122 . . . . 0.0 111.95 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -76.19 -25.36 55.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.08 -15.64 63.02 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -117.2 17.64 14.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.573 0.701 . . . . 0.0 109.656 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -101.35 144.39 30.22 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.301 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 HG13 ' A' ' 44' ' ' ILE . 6.3 tmm_? -131.04 131.8 44.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.603 0.24 . . . . 0.0 111.024 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 m -107.16 143.99 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.353 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG13 HH11 ' A' ' 42' ' ' ARG . 25.7 mm -134.93 132.32 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.126 0.488 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -137.92 115.21 11.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.135 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.52 17.41 10.64 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.328 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.36 -14.79 47.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.422 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 155.02 33.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.094 0.447 . . . . 0.0 111.723 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.7 146.66 28.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.071 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' HG22 ' A' ' 23' ' ' ILE . 72.3 mt -87.31 151.86 22.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 -178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.67 122.26 17.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 29.3 p-10 -62.71 -46.66 87.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -87.53 57.76 4.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.962 0.411 . . . . 0.0 112.051 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -149.78 149.95 31.3 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.5 p -61.31 143.91 54.85 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.38 0.672 . . . . 0.0 111.793 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.18 -19.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.023 0.44 . . . . 0.0 110.103 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.7 -35.81 81.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -86.86 14.25 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.24 115.29 23.32 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -69.41 50.41 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.882 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.58 -25.95 54.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.062 0.458 . . . . 0.0 110.295 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -87.32 -29.26 21.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.643 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -82.39 -29.04 31.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.586 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.112 -179.084 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 N--CA 1.442 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 t -87.36 136.07 23.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.897 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -103.59 139.8 38.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.794 0.33 . . . . 0.0 110.852 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.9 mt -135.48 129.61 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.487 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.02 138.93 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.036 178.123 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.623 0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.47 121.86 52.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.458 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.07 146.15 20.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 120.723 0.297 . . . . 0.0 110.352 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CB ' HG13 ' A' ' 66' ' ' ILE . 73.2 m-85 -84.77 128.9 34.83 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -134.41 139.36 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 112.122 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -115.52 133.81 55.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.332 177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -119.64 109.78 16.07 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.955 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.209 . . . . 0.0 113.687 175.275 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -132.4 144.76 54.37 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-O 120.727 0.299 . . . . 0.0 110.61 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -81.42 121.31 3.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.16 119.69 51.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.87 115.88 25.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.06 168.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.57 164.31 26.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.75 -20.28 66.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.57 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.67 75.58 1.28 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.738 0.78 . . . . 0.0 109.934 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -121.44 108.8 14.08 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.174 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.61 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 16.4 m -65.26 151.34 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.483 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.89 -37.77 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.21 -42.58 96.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.965 0.412 . . . . 0.0 109.928 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' VAL . 98.7 mt-30 -65.82 -45.62 81.64 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.753 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -54.62 -44.01 72.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.717 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.08 -46.97 84.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.874 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.01 -36.08 77.4 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 25' ' ' GLN . 76.1 t -61.4 -47.3 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.518 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -66.9 -41.98 88.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 109.926 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.78 63.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.584 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.58 -32.07 73.57 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.725 0.298 . . . . 0.0 110.501 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -58.45 -44.83 89.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.81 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -92.52 -19.68 21.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.025 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.81 39.19 6.26 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.094 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.516 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.6 m -117.58 153.09 50.38 Favored Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 122.817 -0.225 . . . . 0.0 110.667 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.03 116.49 4.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.687 2.258 . . . . 0.0 113.296 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.5 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.336 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -63.58 -22.67 67.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.973 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -127.07 15.02 7.34 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.055 0.455 . . . . 0.0 110.19 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 43.9 tp -84.39 128.81 34.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.756 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -103.05 138.57 39.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG13 HG12 ' A' ' 69' ' ' ILE . 27.3 m -127.92 139.02 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.206 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.5 mm -126.17 120.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.22 0.534 . . . . 0.0 111.414 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.578 ' CD2' HD21 ' A' ' 50' ' ' LEU . 53.1 t80 -129.84 111.59 12.74 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.57 22.09 13.02 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 111.243 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.47 15.35 58.66 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.15 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -149.16 174.6 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.67 -0.312 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -101.37 138.13 38.79 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 45' ' ' PHE . 89.0 mt -78.85 -178.24 5.91 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HB2' ' HB3' ' A' ' 54' ' ' TRP . 15.5 mmm180 -64.56 100.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.362 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -51.24 -51.83 50.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.784 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.1 65.81 1.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.439 0.638 . . . . 0.0 110.397 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' SER . 40.3 t-105 -164.27 147.4 9.29 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.836 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.76 142.56 58.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 112.76 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.47 -25.58 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.589 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 27.4 tt0 -59.13 -47.42 85.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.538 -178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.82 -23.69 65.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.328 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -85.98 -11.75 52.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 57.68 52.16 8.58 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD22 ' CG2' ' A' ' 67' ' ' VAL . 10.1 mp -68.27 -12.59 61.27 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.404 0.621 . . . . 0.0 110.885 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.13 -34.01 61.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -103.36 -32.09 9.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -175.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HG13 ' CB ' ' A' ' 4' ' ' PHE . 20.3 tt . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.502 ' CG2' HD22 ' A' ' 61' ' ' LEU . 15.8 t -81.72 120.94 34.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 120.609 0.243 . . . . 0.0 111.054 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -96.7 107.88 20.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 HG13 ' A' ' 43' ' ' VAL . 28.8 mt -106.94 128.86 61.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.44 135.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.642 0.258 . . . . 0.0 110.59 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.516 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 26.9 tt0 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.57 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.93 119.99 53.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.304 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.74 148.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 120.881 0.372 . . . . 0.0 110.542 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -89.87 137.25 32.5 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.778 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.36 139.17 42.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.431 0.634 . . . . 0.0 111.375 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HB2' ' HA ' ' A' ' 68' ' ' HIS . 15.4 mmm180 -102.76 144.86 30.57 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.685 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -136.86 150.5 48.31 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.824 179.793 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -91.23 144.72 30.26 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-O 120.831 0.348 . . . . 0.0 111.65 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.42 131.87 5.75 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.595 2.196 . . . . 0.0 111.859 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG11 HG13 ' A' ' 17' ' ' VAL . 79.3 t -116.71 122.89 70.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.033 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.05 119.97 31.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.007 0.432 . . . . 0.0 110.593 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG13 HG11 ' A' ' 15' ' ' VAL . 19.5 m -131.74 174.65 12.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 2.1 m-20 -84.64 161.45 20.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m -71.67 -25.98 62.34 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.279 0.561 . . . . 0.0 110.064 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -93.09 1.43 57.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.12 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 18' ' ' ASP . 54.5 m -66.31 120.13 12.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 73.7 p -75.1 158.31 33.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.238 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.6 mm -61.45 -24.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.22 -46.82 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' HG22 ' A' ' 29' ' ' VAL . 14.9 mm100 -69.68 -38.88 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.959 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -38.87 87.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.083 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -54.24 -46.43 72.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.064 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -68.08 -41.21 82.25 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 25' ' ' GLN . 87.4 t -58.02 -48.38 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.657 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG11 HD12 ' A' ' 69' ' ' ILE . 59.8 t -69.17 -39.0 78.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.273 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.76 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.399 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.76 -28.28 68.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 111.373 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -69.66 -36.96 76.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -93.94 -6.47 45.42 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.36 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.28 40.01 50.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.012 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.452 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 28.2 m -124.86 153.43 70.74 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.567 0.222 . . . . 0.0 110.544 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 63.9 Cg_endo -76.52 130.43 11.77 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.317 2.011 . . . . 0.0 111.676 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.53 -3.85 39.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.37 -52.16 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.564 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -110.08 32.23 5.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.553 0.692 . . . . 0.0 110.182 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.7 tp -94.75 134.82 36.95 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.38 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -118.34 127.45 53.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.215 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.62 130.62 52.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.953 0.406 . . . . 0.0 111.081 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -119.85 104.93 16.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.331 0.586 . . . . 0.0 109.814 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.465 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 78.0 t80 -117.18 113.65 22.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.451 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.74 15.88 9.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.023 0.439 . . . . 0.0 111.289 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.17 -2.76 54.85 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.005 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 159.88 40.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.662 0.267 . . . . 0.0 111.378 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.57 162.53 23.11 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' HB2' HG21 ' A' ' 23' ' ' ILE . 91.8 mt -108.47 165.98 11.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.018 0.437 . . . . 0.0 111.388 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -83.12 114.63 21.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.315 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.4 p-10 -60.91 -14.18 20.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.68 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.89 -9.4 55.8 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 54' ' ' TRP . 8.2 t-105 -113.66 167.29 10.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.498 -0.881 . . . . 0.0 113.15 -175.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 68.2 p -76.33 152.3 36.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.893 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.31 -26.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.235 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.24 -49.88 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.501 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.21 -14.01 59.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.65 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.81 -11.24 59.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.929 0.395 . . . . 0.0 110.174 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.3 50.75 3.68 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 7.9 mp -80.6 -1.9 44.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.186 0.517 . . . . 0.0 111.034 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.88 -39.91 12.04 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.067 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -106.36 -29.86 9.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 . . . . . 0 C--N 1.32 -0.693 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.813 -178.176 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.27 134.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 116.836 -0.166 . . . . 0.0 110.646 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 10.0 m170 -117.63 114.35 23.26 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.406 HD12 HG11 ' A' ' 30' ' ' VAL . 39.9 mt -111.79 127.52 68.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.444 0.64 . . . . 0.0 111.383 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.7 137.48 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.771 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 7.2 tt0 . . . . . 0 C--N 1.318 -0.798 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.726 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.433 ' CG1' ' HG2' ' A' ' 16' ' ' GLU . 65.5 mt -96.54 122.24 47.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.471 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.67 137.15 51.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.39 129.94 34.84 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.885 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.8 t -131.95 137.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -115.4 133.45 56.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.925 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -102.22 151.48 22.17 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.782 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -139.63 143.36 34.96 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.666 0.269 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.1 122.98 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.621 2.214 . . . . 0.0 111.941 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.37 126.69 60.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.815 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG2' ' CG1' ' A' ' 2' ' ' ILE . 1.2 tm-20 -92.4 117.02 29.5 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -135.72 167.16 25.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.96 166.42 18.87 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.011 0.434 . . . . 0.0 110.872 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -74.78 -6.48 49.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.52 8.51 12.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.738 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -66.81 123.05 19.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.475 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.3 m -77.72 147.3 35.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 51' ' ' ARG . 50.6 mm -55.87 -35.39 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 43.9 t80 -60.12 -42.63 95.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.366 . . . . 0.0 110.267 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.556 ' O ' HG21 ' A' ' 29' ' ' VAL . 13.7 mm100 -69.51 -42.31 74.89 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.66 -41.98 78.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.891 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.12 -47.44 86.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.116 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.75 -36.67 85.06 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.534 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 25' ' ' GLN . 73.4 t -58.79 -50.41 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.99 -47.39 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.81 96.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -65.91 -37.49 86.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.089 0.471 . . . . 0.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -65.52 -32.75 74.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.144 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -98.42 -11.73 22.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.515 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 28.03 56.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.619 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.09 156.45 37.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 122.651 -0.323 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -68.3 121.1 8.04 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.754 2.303 . . . . 0.0 111.681 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.5 -18.48 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -80.22 -6.39 57.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.282 0.563 . . . . 0.0 110.27 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.67 11.89 18.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.307 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -106.43 141.29 37.99 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.085 -175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -122.03 131.82 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 m -101.69 114.14 40.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.285 0.564 . . . . 0.0 111.617 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.88 147.47 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.759 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -135.83 106.58 6.58 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.18 -62.46 0.36 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.963 0.789 . . . . 0.0 110.982 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.13 2.2 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -108.65 171.43 7.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.59 146.28 41.91 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -94.51 145.56 24.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.237 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -79.73 152.37 29.9 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 26.2 p-10 -72.56 -40.87 66.33 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -175.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.83 79.12 1.62 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.34 0.59 . . . . 0.0 110.63 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.1 t-105 -162.9 151.93 14.91 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.437 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -71.42 137.84 48.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.113 0.483 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 HD12 ' A' ' 61' ' ' LEU . 8.8 p -73.41 -26.62 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.625 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.451 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 29.9 tt0 -67.75 -33.89 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.05 0.452 . . . . 0.0 111.472 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.25 -7.28 59.39 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.102 0.477 . . . . 0.0 110.848 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.8 m -84.59 -12.9 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.14 35.01 21.18 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.013 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD12 HG23 ' A' ' 56' ' ' VAL . 35.1 mt -68.76 -10.59 57.47 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.86 -25.47 11.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.558 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -88.35 -52.47 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 C--N 1.319 -0.72 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.834 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 t -80.76 135.24 25.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.725 0.297 . . . . 0.0 110.411 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -111.9 108.4 17.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.031 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -105.51 125.5 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-O 121.117 0.484 . . . . 0.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.19 141.83 43.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.538 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.884 0.373 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -105.44 110.65 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.719 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.26 151.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.106 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -96.67 135.77 38.14 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.1 135.94 47.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.48 0.657 . . . . 0.0 111.895 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 42.6 mtp85 -107.03 109.18 21.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.048 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.6 151.48 22.45 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 123.35 0.66 . . . . 0.0 112.65 -179.809 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -115.37 147.98 39.85 Favored Pre-proline 0 C--N 1.313 -1.014 0 CA-C-O 120.755 0.312 . . . . 0.0 111.378 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.79 134.79 6.46 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.3 t -115.59 129.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.981 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -90.63 113.05 25.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.07 0.462 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -128.34 174.74 11.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.205 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -87.06 166.33 15.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -71.74 -33.49 68.73 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.267 0.556 . . . . 0.0 110.348 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.48 4.35 51.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.501 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -61.61 123.17 17.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.504 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.627 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.1 m -80.08 151.27 29.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.013 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -56.52 -29.56 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.311 0.577 . . . . 0.0 110.156 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -52.91 -56.41 16.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.57 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' HG22 ' A' ' 29' ' ' VAL . 23.9 mm-40 -73.32 -37.27 66.21 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.303 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.75 -41.87 67.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 7.6 ttpm? -60.55 -43.95 96.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.366 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.36 -28.11 62.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.969 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 25' ' ' GLN . 95.3 t -65.85 -47.99 83.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.007 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.896 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.02 83.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.593 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HZ2' ' HB2' ' A' ' 32' ' ' LYS . 4.1 ttmp? -65.83 -45.02 83.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.526 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -64.48 -35.74 81.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.464 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -90.22 -23.83 21.15 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.938 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.54 44.48 8.55 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.778 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.405 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 34.7 m -129.51 150.27 75.16 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.414 0.15 . . . . 0.0 110.826 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -65.5 119.58 6.63 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.333 2.022 . . . . 0.0 111.467 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.47 63.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -63.92 -27.88 69.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.102 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -108.44 3.68 23.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.628 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.92 136.19 34.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.132 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -116.06 126.96 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.96 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -106.22 128.39 60.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.352 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.61 129.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.286 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -137.85 122.96 19.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.286 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.93 19.23 11.45 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.03 0.532 . . . . 0.0 111.748 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.74 -5.44 66.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.685 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -179.35 5.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.547 0.213 . . . . 0.0 111.035 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.0 164.03 12.1 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.862 0.363 . . . . 0.0 110.313 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt -114.41 155.41 26.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.993 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.01 134.35 53.68 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -70.27 -32.54 70.4 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -102.71 73.13 1.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.427 0.632 . . . . 0.0 111.495 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.627 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.4 t-105 -165.35 157.76 15.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.864 175.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.0 p -69.01 145.08 53.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.424 0.631 . . . . 0.0 112.249 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.06 -20.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.443 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -72.61 -29.17 63.26 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.39 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -36.36 23.87 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.4 -30.85 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 t70 62.48 92.0 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.009 0.924 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mp -109.4 17.97 20.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 175.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -48.58 4.74 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.875 -1.511 . . . . 0.0 111.469 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -117.5 -32.71 4.82 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 t -80.67 131.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-O 120.46 0.171 . . . . 0.0 110.725 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -108.57 114.6 28.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.1 mt -119.24 118.94 59.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-O 121.234 0.54 . . . . 0.0 111.352 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 m -111.27 141.27 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.395 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' NE2' ' HB ' ' A' ' 36' ' ' VAL . 5.7 tp60 . . . . . 0 C--N 1.311 -1.108 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 20.8 ttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' A' ' 16' ' ' GLU . 28.8 mt -125.56 131.72 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.678 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.34 157.99 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.429 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -97.22 139.13 33.66 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.239 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.522 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 14.5 p -135.36 135.15 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-O 121.303 0.573 . . . . 0.0 111.966 -176.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.437 ' HD2' ' CA ' ' A' ' 12' ' ' GLY . 13.0 mmm180 -106.84 101.15 10.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.019 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -87.34 147.6 25.41 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.323 -0.571 0 O-C-N 123.313 0.383 . . . . 0.0 110.901 179.68 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.814 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -91.49 147.25 34.91 Favored Pre-proline 0 C--N 1.312 -1.032 0 CA-C-O 120.683 0.278 . . . . 0.0 110.518 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.64 125.96 6.43 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.391 2.061 . . . . 0.0 111.958 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -107.62 129.29 61.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.346 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 2' ' ' ILE . 40.3 mt-10 -85.53 120.9 27.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.663 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.73 -179.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.477 -178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -91.74 171.71 8.97 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -178.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p -81.33 0.3 37.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.752 178.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -132.15 24.11 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.256 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 m -76.58 116.99 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.39 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 m -77.23 156.15 31.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.011 177.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 50' ' ' LEU . 41.6 mm -55.32 -38.79 49.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.889 0.376 . . . . 0.0 111.229 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.0 t80 -64.8 -36.06 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.726 179.095 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' HG21 ' A' ' 29' ' ' VAL . 51.6 mt-30 -68.96 -45.11 71.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.93 -39.01 80.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 109.665 177.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 88.3 tttt -58.56 -49.38 77.63 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.877 176.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.32 -46.75 87.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.364 179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 25' ' ' GLN . 90.8 t -55.0 -51.98 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.202 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.33 -35.85 72.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.797 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.0 62.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -68.99 -29.49 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.76 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -64.54 -39.26 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.187 0.518 . . . . 0.0 110.498 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -92.84 -6.72 48.18 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.287 -179.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.68 37.72 67.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.299 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.44 150.68 48.4 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.532 0.206 . . . . 0.0 110.727 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 31.3 Cg_endo -65.79 119.66 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.475 2.117 . . . . 0.0 111.476 178.133 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -66.43 -23.83 66.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.146 -178.211 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -68.4 -24.53 64.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -108.21 12.35 26.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.391 0.615 . . . . 0.0 110.306 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -97.75 144.33 27.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.085 -178.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -122.99 130.11 52.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.731 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.93 122.97 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.127 0.489 . . . . 0.0 111.368 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -118.52 130.41 73.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.399 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 68.7 t80 -128.99 114.27 16.21 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 5.61 3.42 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.404 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.45 7.11 Favored Glycine 0 C--O 1.227 -0.331 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.709 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -113.02 170.75 7.98 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.48 138.39 39.46 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' HG23 ' A' ' 23' ' ' ILE . 75.8 mt -85.53 170.34 12.71 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.141 0.496 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -90.0 155.97 18.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.776 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.4 p-10 -72.64 -39.23 67.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -90.48 65.23 6.06 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.358 0.599 . . . . 0.0 110.372 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 59' ' ' CYS . 26.1 t-105 -146.81 132.95 19.32 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.1 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -79.35 140.6 37.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.365 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.6 -24.89 15.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.525 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 24.3 tp60 -68.81 -42.9 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.132 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.51 -18.66 56.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.102 0.477 . . . . 0.0 110.896 -178.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 26.1 t -90.25 -37.42 14.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 64.17 94.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.686 0.794 . . . . 0.0 111.205 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 9.6 mp -103.31 26.55 8.21 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.82 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.64 -43.57 3.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.864 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -90.55 -41.97 11.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 . . . . . 0 C--N 1.316 -0.857 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 -179.077 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 N--CA 1.44 -0.971 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 t -80.83 129.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -177.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -107.16 111.05 23.3 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.89 121.59 66.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-O 121.187 0.518 . . . . 0.0 110.601 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -128.92 145.87 35.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.84 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' OE1' ' HD2' ' A' ' 37' ' ' PRO . 7.7 tt0 . . . . . 0 C--N 1.316 -0.861 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.58 111.69 37.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.76 144.1 16.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.839 0.352 . . . . 0.0 110.314 178.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.408 ' HB2' HG13 ' A' ' 66' ' ' ILE . 44.9 m-85 -87.83 125.89 34.72 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.47 HG21 ' HB ' ' A' ' 67' ' ' VAL . 69.6 t -131.93 134.24 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.443 -176.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.42 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 99.4 mtt180 -107.96 100.71 10.03 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.103 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -85.99 108.79 18.38 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 -178.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.229 -179.506 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.444 -0.792 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -140.56 150.01 59.07 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 116.64 0.22 . . . . 0.0 110.493 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 121.99 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.275 1.983 . . . . 0.0 111.141 177.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.6 t -94.47 119.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.135 0.493 . . . . 0.0 110.203 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -90.83 111.82 23.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.884 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.68 -177.49 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.6 162.21 14.27 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -64.56 -23.44 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.071 177.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -110.98 66.42 0.63 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.565 0.698 . . . . 0.0 109.954 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -116.75 114.24 23.71 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.94 178.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 37.2 m -69.65 149.68 47.83 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 178.578 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.19 -39.93 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.611 0.244 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.448 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 69.9 t80 -61.72 -47.61 84.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.968 0.413 . . . . 0.0 110.269 177.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.572 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.8 mm100 -63.67 -41.39 98.18 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.079 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.21 -47.14 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.514 178.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.37 -43.75 92.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.142 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.49 -36.48 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.02 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' GLN . 66.8 t -62.62 -50.39 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.397 178.099 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.18 -39.5 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.172 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.48 65.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HZ1' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -70.48 -34.43 72.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.605 -178.432 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -67.67 -30.02 69.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -103.78 -6.76 21.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.72 55.98 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.046 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.56 153.49 76.06 Favored Pre-proline 0 C--N 1.318 -0.789 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.19 117.35 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.242 1.962 . . . . 0.0 111.925 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.28 -37.83 88.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.745 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -102.79 19.39 19.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.483 0.659 . . . . 0.0 110.589 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.7 tp -101.62 151.84 21.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.303 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -130.81 137.97 49.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.57 0.224 . . . . 0.0 110.534 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.54 129.18 75.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.174 0.511 . . . . 0.0 111.14 178.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -123.86 132.36 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.566 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 88.6 t80 -133.93 124.36 26.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.19 22.69 13.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.73 11.63 70.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -142.83 -178.45 5.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.55 138.36 48.18 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.88 166.76 12.89 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -73.16 142.92 47.43 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.373 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' PHE . 87.3 m-20 -74.32 -26.76 60.36 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 120.9 0.381 . . . . 0.0 111.455 -177.058 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -102.92 67.91 0.98 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.066 -175.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' ' 22' ' ' SER . 19.2 t-105 -161.82 151.88 16.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.405 177.127 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -73.73 142.53 46.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.309 0.576 . . . . 0.0 111.961 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.11 -25.37 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -59.15 -42.54 90.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.296 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.53 -1.54 58.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.061 0.458 . . . . 0.0 111.037 -177.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 72.7 m -95.78 -17.6 21.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.671 178.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 57.33 55.46 5.81 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 11.1 mp -76.75 -0.59 24.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.155 0.502 . . . . 0.0 111.455 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.98 -8.19 18.74 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.243 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -118.78 -56.84 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.049 -176.876 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 4' ' ' PHE . 21.0 tt . . . . . 0 N--CA 1.434 -1.243 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' HB ' HG21 ' A' ' 5' ' ' VAL . 4.5 t -81.69 129.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 -177.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -106.88 108.68 20.31 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.38 129.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 -178.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -135.2 148.75 28.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.953 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -179.458 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.591 0.234 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.1 mm -93.27 123.11 45.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.533 178.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 62' ' ' ASP . 29.6 m -115.06 157.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -101.84 132.34 47.67 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.78 141.28 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.059 0.457 . . . . 0.0 111.563 -177.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -115.52 119.36 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.149 176.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -100.51 113.88 27.03 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.589 0.233 . . . . 0.0 110.901 -178.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.295 178.662 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.941 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -130.1 145.85 59.01 Favored Pre-proline 0 C--N 1.309 -1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.1 114.85 2.26 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.752 2.301 . . . . 0.0 112.243 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -99.92 125.91 53.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -82.46 118.73 23.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 179.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.71 170.0 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.92 170.08 8.07 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 p -67.22 -18.52 65.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.68 24.95 11.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.467 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 m -87.33 115.3 24.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.128 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -79.61 167.12 21.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.36 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.45 -51.59 69.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.484 175.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.2 mm100 -66.87 -45.08 79.24 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.69 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 tp -56.12 -43.18 77.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -58.55 -46.01 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.036 178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.425 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 75.1 t -59.43 -53.53 46.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.689 179.028 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.62 -38.29 81.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.885 0.374 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.13 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.622 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.9 -29.89 67.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 -178.031 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 30.3 mtp-105 -65.44 -44.42 87.37 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.941 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.37 -34.31 28.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.219 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.8 41.82 4.3 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.53 156.24 55.9 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.638 -0.281 . . . . 0.0 110.423 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.65 119.32 6.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.641 2.227 . . . . 0.0 111.617 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.82 -21.74 56.99 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.99 -51.11 35.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.566 0.222 . . . . 0.0 111.413 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -89.22 22.02 3.01 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.849 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.0 tp -93.18 138.58 31.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.254 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -119.88 125.58 48.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.05 0.452 . . . . 0.0 111.867 -177.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -97.38 133.16 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.59 176.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -130.68 136.68 57.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.218 0.532 . . . . 0.0 111.094 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -140.66 113.52 8.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.18 177.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 22.88 12.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.924 0.49 . . . . 0.0 111.75 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 -16.96 53.8 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.624 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 158.85 26.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 117.143 0.472 . . . . 0.0 111.254 -178.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 147.49 23.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 178.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.5 mt -91.44 150.22 21.34 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.86 133.39 54.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.305 177.592 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -64.32 -40.86 96.75 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.079 -177.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.11 70.37 7.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.645 0.736 . . . . 0.0 110.736 -177.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -164.0 135.33 4.59 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.352 177.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.61 139.93 58.47 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.331 0.586 . . . . 0.0 112.362 -178.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.38 -19.97 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.278 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -35.65 78.92 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.286 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.04 -2.13 57.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 110.046 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.54 -31.86 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.717 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.35 42.44 9.14 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.771 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.51 1.4 2.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.945 -179.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' HB3' HG11 ' A' ' 3' ' ' VAL . 7.1 p-10 -101.58 -29.8 11.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 178.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.65 -13.83 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.376 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 . . . . . 0 C--N 1.313 -0.979 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 177.534 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -81.39 130.54 35.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -103.34 128.94 50.29 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.76 129.08 66.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.67 139.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.034 0.445 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.03 179.543 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.47 124.95 46.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.46 149.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 120.697 0.284 . . . . 0.0 110.512 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -92.16 130.69 37.82 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.03 134.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.158 0.504 . . . . 0.0 111.688 -177.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -106.55 144.14 33.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.843 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -133.44 109.82 9.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 N--CA 1.475 0.789 0 O-C-N 123.942 0.776 . . . . 0.0 113.083 178.914 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.257 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.2 p90 -104.36 151.94 39.2 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 5.1 Cg_endo -87.24 126.27 2.31 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.745 2.297 . . . . 0.0 112.534 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.1 119.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.085 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -82.81 121.34 26.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.449 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.4 172.05 13.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.732 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -92.38 175.43 6.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.099 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 p -67.62 -36.04 80.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 111.321 -178.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -111.81 23.68 13.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -67.65 114.67 6.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -65.77 147.79 52.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.7 mm -56.62 -36.02 47.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 76.3 t80 -60.1 -42.98 95.85 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.026 0.441 . . . . 0.0 110.028 177.632 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.8 mm-40 -61.74 -47.07 86.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.298 179.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.583 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.57 -46.19 87.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.898 177.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.8 mm-40 -63.34 -41.19 98.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.216 178.138 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 25' ' ' GLN . 62.6 t -57.36 -49.63 79.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.166 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.579 178.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.52 -40.97 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.04 -55.14 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.505 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 18.8 ptpt -68.24 -29.52 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.187 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -71.51 -26.84 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.009 0.433 . . . . 0.0 110.863 -178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -107.68 3.65 24.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -178.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.08 47.67 63.75 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.55 177.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.47 151.36 77.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.938 0.369 . . . . 0.0 110.883 178.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.86 119.12 5.72 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.562 2.175 . . . . 0.0 111.814 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.5 -24.01 67.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.574 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.42 -23.66 67.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.888 0.375 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -118.31 23.82 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.295 0.569 . . . . 0.0 110.174 -179.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -102.59 139.17 38.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.88 -178.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.563 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 11.8 tpp180 -111.8 131.13 55.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -179.716 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.35 106.72 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.514 0.673 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.43 101.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-O 121.282 0.563 . . . . 0.0 110.788 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -90.79 111.39 22.75 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.12 -63.36 0.37 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.979 0.8 . . . . 0.0 110.84 -176.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.15 12.92 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.298 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.78 166.64 32.9 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.158 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.563 ' OE1' ' HD3' ' A' ' 42' ' ' ARG . 4.2 mm-40 -74.15 156.86 36.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.139 177.078 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' HG23 ' A' ' 23' ' ' ILE . 59.8 mt -108.53 163.69 13.01 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.368 0.604 . . . . 0.0 111.208 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.502 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -74.04 108.13 6.66 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.629 176.421 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 49.6 m-80 -64.19 -28.13 69.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.18 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.28 -17.67 38.9 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.479 ' HB3' ' HG2' ' A' ' 51' ' ' ARG . 9.4 t-105 -99.12 172.92 7.07 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.286 -0.566 . . . . 0.0 111.483 -176.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -76.55 153.58 35.28 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.657 0.741 . . . . 0.0 112.976 -174.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.52 -30.36 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.468 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.54 -38.93 92.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 -178.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.99 -21.22 63.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 0.0 110.952 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.5 m -81.0 -22.51 39.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 21.1 m-20 64.52 61.04 0.87 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.58 -23.23 53.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 178.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.21 -30.57 23.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' A' ' 60' ' ' ASP . 33.2 tt0 -85.05 -48.53 9.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.484 -179.338 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.662 0.268 . . . . 0.0 111.471 -177.615 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.16 127.32 40.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.523 0.201 . . . . 0.0 110.591 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.84 106.89 18.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -108.57 130.57 61.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.243 0.544 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.83 150.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.088 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--N 1.308 -1.213 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.97 -178.16 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 120.76 0.314 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.4 mt -104.08 117.23 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.71 165.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.34 140.92 42.4 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.622 0.248 . . . . 0.0 110.451 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -138.36 143.05 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.332 0.587 . . . . 0.0 111.877 -177.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -115.28 111.98 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -93.73 140.18 29.95 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.637 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.841 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.787 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -135.83 151.28 73.77 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-O 120.525 0.202 . . . . 0.0 110.667 178.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.05 144.63 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.531 2.154 . . . . 0.0 112.439 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.27 118.8 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.939 177.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.94 127.25 33.35 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.957 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.39 166.66 11.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.959 -177.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -103.19 -177.72 3.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.583 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.462 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 25.1 m -77.1 -13.09 60.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.424 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.68 19.13 12.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.572 -178.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -81.57 100.67 9.52 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.884 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -68.58 150.68 47.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.553 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.9 mm -57.29 -34.54 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.105 0.479 . . . . 0.0 110.533 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -61.3 -42.95 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' HG22 ' A' ' 29' ' ' VAL . 54.1 mt-30 -68.44 -44.12 75.61 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.901 178.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.01 -42.72 76.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.178 0.513 . . . . 0.0 110.103 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.05 -44.3 87.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.981 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.52 -32.4 68.15 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.395 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 25' ' ' GLN . 68.9 t -62.7 -47.69 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.432 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.25 -41.41 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.143 178.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.45 99.62 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.167 0.508 . . . . 0.0 110.709 178.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HB2' ' HZ1' ' A' ' 32' ' ' LYS . 4.9 ttmp? -64.26 -41.54 96.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 178.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -66.91 -31.3 71.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.947 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -96.76 -10.53 26.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.762 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.72 48.11 51.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.18 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.45 155.69 80.68 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 111.88 1.09 Allowed 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.604 2.203 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.896 -177.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.84 -31.06 70.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -96.08 8.91 42.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 tp -96.28 141.84 29.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.058 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -127.61 149.17 50.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.668 0.271 . . . . 0.0 110.692 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.61 142.08 23.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.834 0.349 . . . . 0.0 111.29 179.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -130.87 119.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -138.03 124.16 20.35 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.7 20.35 11.52 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 -179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.96 66.48 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.895 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 164.73 29.62 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.557 -0.378 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.89 154.09 20.13 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HB2' HG23 ' A' ' 23' ' ' ILE . 75.9 mt -86.16 -177.36 6.25 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.815 -176.464 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -81.69 -14.11 56.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.091 -177.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.553 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 79.4 m-20 67.74 -60.3 0.4 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 175.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -66.58 -35.04 79.24 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 58' ' ' ASN . 1.2 t90 -77.66 164.41 25.33 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.733 -174.521 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 t -74.95 152.7 38.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 112.227 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.68 -16.43 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.669 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.2 tp-100 -63.16 -37.53 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 111.079 -177.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 2.9 t30 -90.55 8.74 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.542 0.687 . . . . 0.0 109.914 179.598 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.3 94.99 4.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.7 95.42 0.11 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.926 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.9 mp -110.33 0.37 17.97 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.867 175.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -86.89 -42.48 13.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.932 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -104.81 27.03 8.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.906 0.384 . . . . 0.0 111.257 -179.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 179.748 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 N--CA 1.444 -0.769 0 CA-C-O 120.811 0.338 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.44 131.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.001 -177.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -105.39 135.75 46.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.4 mt -128.65 122.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-O 121.082 0.468 . . . . 0.0 111.197 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -118.35 144.29 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.163 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.19 121.52 54.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.99 148.9 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -93.02 127.94 38.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.27 136.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.235 0.54 . . . . 0.0 111.92 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -113.91 114.12 25.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.722 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' HB3' ' HB2' ' A' ' 10' ' ' SER . 56.2 t80 -89.0 143.1 27.09 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -49.06 -37.12 20.06 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -105.49 22.1 16.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.813 0.339 . . . . 0.0 111.097 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 15.2 m -143.57 -171.54 3.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.349 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -105.38 -166.14 1.19 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.4 91.38 1.61 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.143 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -99.8 151.56 37.52 Favored Pre-proline 0 C--N 1.315 -0.911 0 CA-C-O 120.679 0.275 . . . . 0.0 111.195 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.34 126.85 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.813 2.342 . . . . 0.0 112.429 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -115.57 122.77 70.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.76 121.49 26.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.95 159.05 43.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.42 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.1 162.6 16.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.1 m -66.68 -28.14 68.22 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.309 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.76 4.27 54.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.735 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 m -67.79 114.34 6.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.0 m -69.87 151.22 45.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 HG22 ' HB2' ' A' ' 50' ' ' LEU . 50.2 mm -55.01 -44.32 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.459 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 31.5 t80 -65.1 -39.49 93.2 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.283 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG22 ' A' ' 29' ' ' VAL . 98.8 mt-30 -61.49 -42.13 98.32 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.161 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.11 -39.72 94.64 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.227 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -57.1 -45.79 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -31.16 71.78 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.19 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 25' ' ' GLN . 53.3 t -65.92 -49.96 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.205 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.48 -39.13 84.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.795 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -61.62 -38.19 86.72 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.394 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -68.83 -48.29 63.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.658 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -57.2 -48.57 78.45 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.439 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -101.51 6.08 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 54.52 37.11 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.245 -0.503 . . . . 0.0 113.278 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 31' ' ' ALA . 35.7 m -118.74 151.91 50.69 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.98 113.69 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.818 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -28.54 69.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.572 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -67.61 -22.01 65.37 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.051 0.453 . . . . 0.0 110.715 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 13.8 mm-40 -113.59 13.27 18.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.023 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -93.18 129.46 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.752 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -115.73 122.25 44.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.505 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.5 m -109.19 135.18 48.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -122.1 126.21 74.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.274 0.559 . . . . 0.0 111.653 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CD2' HD22 ' A' ' 50' ' ' LEU . 63.9 t80 -134.91 118.64 17.13 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.639 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.42 7.24 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.409 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.39 -28.12 10.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.854 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 170.42 8.28 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 122.659 -0.318 . . . . 0.0 111.365 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -92.78 141.26 28.64 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.493 HD22 ' CD2' ' A' ' 45' ' ' PHE . 94.4 mt -80.49 159.21 25.63 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -177.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.95 137.19 55.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.801 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.8 p-10 -71.39 -21.12 62.05 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.58 84.88 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.499 ' O ' ' HA ' ' A' ' 22' ' ' SER . 25.0 t-105 -171.85 161.08 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.083 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 19' ' ' SER . 63.0 p -67.53 140.43 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.519 0.512 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.977 0.417 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.93 -50.42 66.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.2 -1.28 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.551 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -96.7 -8.78 30.56 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.186 -0.321 . . . . 0.0 111.199 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 21.5 m-20 66.37 35.68 5.62 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 175.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.3 -14.98 63.38 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 120.444 -0.502 . . . . 0.0 112.064 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.31 -22.7 15.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.055 0.455 . . . . 0.0 110.348 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -95.34 -47.66 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.569 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 84.3 mm-40 -91.6 92.43 8.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -115.81 145.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -81.54 137.69 20.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.429 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -109.15 133.34 53.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -132.29 125.18 53.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 121.115 0.483 . . . . 0.0 110.98 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.33 141.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -103.66 141.5 35.94 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.247 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 17.2 mmm180 -123.34 71.86 47.04 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.001 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.49 146.62 9.66 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.406 2.07 . . . . 0.0 111.953 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -85.82 -28.47 24.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.039 0.447 . . . . 0.0 109.935 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 75' ' ' ARG . 10.7 ptp180 -138.28 105.55 5.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 111.36 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.927 176.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.7 ttt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.73 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.8 0.334 . . . . 0.0 110.409 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -111.81 153.13 13.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.01 134.83 34.45 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.144 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 67' ' ' VAL . 7.3 p -140.14 147.11 23.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.567 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -113.67 151.32 31.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 55.6 t80 -134.28 147.13 50.57 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -52.06 -35.73 48.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.002 0.521 . . . . 0.0 112.319 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -98.34 18.35 16.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.934 0.397 . . . . 0.0 111.217 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.8 t -141.65 -164.14 1.72 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -119.97 -62.11 1.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.897 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.5 119.04 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -139.45 153.4 70.66 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-O 120.576 0.227 . . . . 0.0 110.648 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -88.75 138.73 3.72 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 122.37 2.047 . . . . 0.0 111.934 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.1 t -114.46 123.85 70.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.285 0.564 . . . . 0.0 110.411 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.5 102.13 11.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.405 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 m -116.32 -174.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -104.44 160.66 14.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.628 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -67.1 -11.17 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -114.46 16.36 17.73 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.592 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -76.5 118.99 19.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.821 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 25' ' ' GLN . 73.4 p -81.17 163.71 22.88 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.528 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -60.93 -31.14 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.974 0.416 . . . . 0.0 109.917 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 63.9 t80 -62.48 -49.03 77.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.966 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.4 mt-30 -67.88 -43.54 79.13 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.223 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.46 -40.34 74.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.22 -48.97 78.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.754 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.71 -37.93 89.26 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.587 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -57.52 -51.7 66.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.933 0.397 . . . . 0.0 110.419 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.31 -40.19 86.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.28 86.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.41 -37.89 88.31 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.162 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.13 -33.84 76.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.01 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -93.66 -16.65 24.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.446 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.51 41.01 10.3 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.118 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 m -129.2 157.54 75.75 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.92 -0.165 . . . . 0.0 110.774 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.43 120.41 7.54 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.349 2.032 . . . . 0.0 111.079 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.44 -17.92 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.001 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -76.87 -26.5 54.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.058 0.456 . . . . 0.0 110.398 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -95.43 19.3 11.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -105.93 137.0 44.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.001 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -119.46 121.2 38.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.16 131.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.93 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -127.24 135.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.967 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -147.95 128.93 14.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.169 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 23.96 8.47 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.409 0.443 . . . . 0.0 111.969 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 1.75 78.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.318 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -125.99 177.29 6.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.145 0.473 . . . . 0.0 111.043 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -109.05 121.61 45.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.745 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.21 159.3 23.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.59 25.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.042 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.0 p-10 -64.58 -40.58 95.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.121 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.69 71.58 4.22 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.99 0.9 . . . . 0.0 110.82 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -155.69 138.76 15.5 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.202 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -78.52 143.2 36.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.114 0.483 . . . . 0.0 111.551 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG23 HD22 ' A' ' 61' ' ' LEU . 13.5 p -68.9 -23.12 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 57.1 tt0 -65.94 -57.03 8.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.739 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.58 0.07 24.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.794 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 10.6 t -96.76 -12.47 23.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 52.99 47.74 23.98 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 2.9 mm? -75.06 1.52 12.88 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.655 0.741 . . . . 0.0 109.85 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -75.79 -33.47 60.15 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.471 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -124.88 -38.05 2.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.037 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -77.41 97.19 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 tt -132.51 147.32 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HB ' HG23 ' A' ' 5' ' ' VAL . 26.3 t -81.39 130.52 35.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.728 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -100.92 108.29 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 30.7 mt -111.3 119.16 59.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 121.14 0.495 . . . . 0.0 111.143 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.86 147.78 23.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -95.49 138.21 33.47 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.282 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 3.5 mmp_? -126.45 84.95 61.15 Favored Pre-proline 0 C--N 1.315 -0.934 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.18 117.36 3.17 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.256 1.971 . . . . 0.0 112.622 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -98.47 11.08 39.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -124.65 5.28 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.465 0.65 . . . . 0.0 110.134 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--N 1.312 -1.046 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.476 -178.1 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.1 ttt . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.95 111.03 34.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 120.815 0.341 . . . . 0.0 110.67 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.72 168.95 2.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.823 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.414 ' C ' HG13 ' A' ' 66' ' ' ILE . 83.8 m-85 -117.76 135.49 54.01 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.502 ' O ' ' HA3' ' A' ' 12' ' ' GLY . 34.5 m -133.0 148.93 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 112.024 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' HE ' HG21 ' A' ' 66' ' ' ILE . 93.5 mtt180 -110.17 155.13 22.38 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -135.31 105.84 6.45 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.092 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' C ' ' HG ' ' A' ' 9' ' ' SER . 17.6 m120 45.96 23.11 0.16 Allowed 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 8' ' ' ASN . 68.9 m -160.14 168.36 25.66 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.282 -0.261 . . . . 0.0 110.525 -177.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 m -73.3 141.64 47.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.5 m80 66.79 179.14 0.22 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.464 0.477 . . . . 0.0 110.22 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 5' ' ' VAL . . . -173.63 -136.29 2.17 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 119.244 -1.455 . . . . 0.0 113.184 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -139.44 154.0 71.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-O 120.517 0.199 . . . . 0.0 110.872 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.27 145.62 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.623 2.215 . . . . 0.0 112.021 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.22 122.03 63.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.97 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -93.14 113.53 25.79 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.69 176.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -85.45 168.67 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.276 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.04 -21.39 62.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.071 0.462 . . . . 0.0 111.148 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -109.69 35.5 3.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.004 0.431 . . . . 0.0 110.952 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -85.4 129.26 34.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.655 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 t -83.65 153.88 24.01 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.92 -39.07 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 120.836 0.35 . . . . 0.0 110.47 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.77 -43.95 97.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 29' ' ' VAL . 97.8 mt-30 -63.99 -47.84 78.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 tp -57.04 -43.32 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.37 -46.9 85.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.16 -35.86 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.385 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.6 t -60.45 -45.7 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.214 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.31 -46.85 94.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.209 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.08 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.011 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -63.99 -42.16 97.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.952 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.81 -49.97 72.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.742 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.07 -10.88 56.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.93 51.57 6.22 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.439 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.96 157.27 78.67 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -80.21 126.94 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.612 2.208 . . . . 0.0 111.719 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.14 47.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.22 -55.1 37.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.137 0.494 . . . . 0.0 111.293 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -99.69 5.17 45.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.456 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.91 130.96 39.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.567 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -121.62 132.03 54.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.694 0.283 . . . . 0.0 110.681 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.18 127.7 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.826 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.11 126.18 73.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.742 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 43.5 t80 -119.62 108.5 14.55 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.674 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 65.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.101 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.17 -10.28 35.55 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.2 156.87 40.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.976 0.888 . . . . 0.0 112.267 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.82 168.63 17.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.102 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' SG ' ' A' ' 59' ' ' CYS . 24.4 mt -119.98 161.52 20.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.23 150.42 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.176 174.317 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -86.53 -24.37 25.53 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.71 70.74 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.685 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -164.43 156.9 16.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.189 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -68.86 143.9 54.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 112.961 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -80.79 -27.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.963 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 19.5 tm0? -63.78 -44.48 93.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.652 -176.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.65 -0.6 43.3 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.492 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.7 t -98.27 -14.37 20.3 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.986 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.79 39.64 4.63 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -65.77 -18.12 65.1 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.01 -0.96 49.89 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.036 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -101.41 -53.1 3.08 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 85.2 mm-40 -79.82 82.84 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.906 0.384 . . . . 0.0 111.465 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG21 ' HE ' ' A' ' 6' ' ' ARG . 21.4 tt -153.42 154.53 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.272 -175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HB ' HG11 ' A' ' 5' ' ' VAL . 20.1 t -84.09 133.96 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.601 0.239 . . . . 0.0 110.385 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -98.64 108.74 21.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.893 0.378 . . . . 0.0 110.366 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 49.2 mt -107.51 131.64 57.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.78 136.04 61.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.127 0.489 . . . . 0.0 110.974 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -115.28 130.59 56.95 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.297 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -135.5 86.15 29.91 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.681 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.94 144.35 76.28 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.699 2.266 . . . . 0.0 111.626 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -103.83 -33.51 8.86 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -114.92 19.33 15.91 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.204 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.218 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.944 0.402 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt -126.84 114.71 38.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.864 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -93.82 145.88 7.29 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 120.983 0.42 . . . . 0.0 110.948 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -93.98 127.31 39.69 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.519 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.93 140.22 39.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.102 0.477 . . . . 0.0 112.275 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HG2' ' CA ' ' A' ' 12' ' ' GLY . 16.2 mtm180 -115.22 136.46 53.08 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.534 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 53.3 t80 -100.34 146.36 27.05 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.19 -26.61 40.25 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -116.44 27.0 9.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.118 0.485 . . . . 0.0 110.559 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.455 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 12.0 t -150.9 -168.47 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -110.85 -169.34 1.44 Allowed 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' CA ' ' HG2' ' A' ' 6' ' ' ARG . . . -82.31 129.22 8.92 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.406 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -138.8 146.24 49.32 Favored Pre-proline 0 C--N 1.312 -1.052 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -81.95 132.19 7.31 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.537 2.158 . . . . 0.0 112.426 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.231 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.93 132.63 36.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.105 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -129.13 -179.18 2.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.34 166.88 10.62 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 p -72.91 -2.72 21.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.881 0.372 . . . . 0.0 111.67 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -120.6 14.25 11.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.943 0.402 . . . . 0.0 110.758 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -78.7 117.43 19.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.145 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.6 m -80.92 152.58 28.0 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.1 mm -59.93 -29.78 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.024 0.44 . . . . 0.0 110.291 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.74 -44.38 97.02 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.778 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.554 ' O ' HG21 ' A' ' 29' ' ' VAL . 15.3 mm100 -71.84 -38.36 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.543 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.38 -39.68 84.09 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -59.32 -51.16 71.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.477 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 26.6 mt-10 -56.55 -50.63 71.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.739 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 25' ' ' GLN . 85.0 t -51.89 -52.49 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.382 0.426 . . . . 0.0 111.458 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.58 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.59 33.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.018 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 17.1 ptpt -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -65.5 -46.71 78.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 110.584 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -79.02 -30.7 44.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.238 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.22 34.09 4.65 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.05 164.98 15.87 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.64 112.9 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.62 2.213 . . . . 0.0 112.2 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.71 64.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.14 -36.85 83.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.589 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 80.7 mm-40 -114.87 23.8 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.265 0.555 . . . . 0.0 110.887 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.8 tp -96.14 137.05 35.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.63 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -119.59 136.1 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.4 m -106.06 132.0 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.282 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -128.41 132.25 68.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.83 128.24 20.03 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.27 17.06 9.95 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.978 0.511 . . . . 0.0 111.41 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 8.49 67.17 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.793 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.66 170.71 15.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 111.329 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.32 150.17 21.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.119 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' HG21 ' A' ' 23' ' ' ILE . 80.9 mt -102.08 146.73 27.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.004 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -61.51 121.42 12.67 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.041 176.046 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.533 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p30 -77.98 -31.66 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -85.5 -9.22 57.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 22' ' ' SER . 2.0 t90 -99.59 171.89 7.64 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.692 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -80.91 140.07 35.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.35 0.595 . . . . 0.0 112.598 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.03 -16.65 15.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.675 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -59.8 -43.89 94.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.32 -19.42 36.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.3 m -72.97 -36.98 67.21 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 60.34 91.01 0.06 Allowed 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.951 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.8 mt -113.81 12.65 18.29 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -93.43 -46.24 7.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.779 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -101.14 -17.21 16.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -84.18 -159.67 0.41 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.784 0.326 . . . . 0.0 111.182 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.8 tt -91.78 144.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.88 139.84 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -109.73 124.99 52.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -118.41 118.98 59.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 120.998 0.428 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.14 146.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.078 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -102.94 128.45 49.74 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 35.9 ttp180 -127.92 79.46 73.68 Favored Pre-proline 0 C--N 1.317 -0.842 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.34 154.28 45.82 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.442 2.094 . . . . 0.0 113.53 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -122.26 136.09 54.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.415 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 66.58 16.73 10.48 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.55 0.69 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? . . . . . 0 C--O 1.242 0.701 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.963 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 22.8 ptt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -116.01 121.79 68.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.649 0.261 . . . . 0.0 110.395 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -114.83 156.35 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.258 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.91 138.92 32.03 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.2 p -137.89 135.71 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.024 0.44 . . . . 0.0 111.256 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 30.5 mtp180 -105.58 121.65 44.41 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.675 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -95.96 150.57 20.31 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.17 131.39 49.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.155 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 m 69.03 22.59 6.89 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.365 0.602 . . . . 0.0 110.78 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -147.28 178.45 8.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.265 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.574 ' CG ' ' H ' ' A' ' 12' ' ' GLY . 15.5 t-80 -103.09 -157.2 0.6 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' H ' ' CG ' ' A' ' 11' ' ' HIS . . . -99.53 118.14 6.09 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.598 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -114.65 148.21 39.83 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.7 127.52 10.28 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.707 2.271 . . . . 0.0 112.91 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG21 HH11 ' A' ' 33' ' ' ARG . 69.9 t -120.24 118.79 57.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.176 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.48 126.46 31.69 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.773 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.26 178.76 4.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -107.26 175.23 5.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 p -67.26 -32.89 74.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.31 0.576 . . . . 0.0 110.507 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.34 11.71 38.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.521 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.2 m -68.19 101.59 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 1.8 m -64.06 150.32 45.65 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 49.0 mm -56.58 -33.66 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.094 0.473 . . . . 0.0 110.108 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.88 -49.25 78.47 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.784 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.2 mt-30 -68.05 -39.98 82.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.868 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.96 -43.42 73.44 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HZ2' ' HB3' ' A' ' 27' ' ' LYS . 5.7 ttpm? -53.5 -44.96 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.115 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.45 -27.68 59.01 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.866 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.8 t -66.74 -41.04 87.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.484 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.28 -36.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.014 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.24 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.415 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -66.0 -32.62 74.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.734 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 HH11 HG21 ' A' ' 15' ' ' VAL . 58.5 ttt180 -66.57 -37.47 85.02 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.361 0.6 . . . . 0.0 110.379 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -93.34 -6.47 47.25 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.33 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.15 38.51 96.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.126 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.35 156.72 44.03 Favored Pre-proline 0 C--N 1.316 -0.85 0 O-C-N 122.904 -0.174 . . . . 0.0 110.872 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.17 109.75 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.514 2.142 . . . . 0.0 111.737 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.11 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.368 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.64 -36.07 81.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 52.4 mt-30 -101.28 21.55 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -100.5 140.01 35.37 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -128.74 129.54 45.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.454 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.16 132.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -134.41 127.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.272 0.558 . . . . 0.0 110.969 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 50' ' ' LEU . 86.3 t80 -148.88 141.77 24.71 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 11.32 7.44 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.405 0.441 . . . . 0.0 110.653 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.84 64.04 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.142 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.39 -173.93 3.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.371 0.585 . . . . 0.0 111.739 -178.326 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -79.18 142.0 36.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.198 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' HG22 ' A' ' 23' ' ' ILE . 85.5 mt -82.95 -166.49 1.35 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.633 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -97.53 96.01 8.02 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 24.3 m-80 -57.5 -32.44 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.69 4.71 50.72 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' SER . 13.2 t-105 -116.35 168.65 9.95 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.419 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -75.03 156.26 36.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.225 0.536 . . . . 0.0 112.017 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 61' ' ' LEU . 12.3 p -80.23 -30.61 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 48.9 tt0 -70.62 -43.39 69.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.148 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.35 -1.81 46.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.064 0.459 . . . . 0.0 110.629 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.22 -1.29 57.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.23 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 68.97 11.57 8.38 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.909 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 56' ' ' VAL . 61.5 mt -65.79 -16.86 64.19 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.959 0.409 . . . . 0.0 112.086 -177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 25.2 t70 -84.17 -28.45 27.37 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -101.49 -22.78 14.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.082 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -95.62 -156.1 0.5 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.799 0.333 . . . . 0.0 111.591 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt -90.23 146.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 -176.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 t -82.3 139.52 17.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.241 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -115.82 139.93 49.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.96 0.41 . . . . 0.0 110.529 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.4 124.58 41.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.456 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 148.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 32.1 tt0 -113.24 149.08 34.31 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.986 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 23.2 mmm180 -95.93 97.42 3.03 Favored Pre-proline 0 C--N 1.314 -0.976 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 1.5 Cg_endo -81.41 101.83 1.26 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.568 2.179 . . . . 0.0 113.156 -175.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -81.74 -33.5 30.99 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -123.18 99.83 6.55 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.267 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.102 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.614 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 63.3 ttp . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.95 121.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 120.777 0.322 . . . . 0.0 110.758 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.3 135.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.79 143.08 32.03 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.536 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 12.1 p -141.09 140.17 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-O 121.147 0.498 . . . . 0.0 111.704 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -102.02 103.91 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 61.3 t80 -91.25 142.73 27.4 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.435 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.8 t30 -48.35 -45.58 35.65 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -108.08 29.58 7.17 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 6.1 t -153.87 -173.61 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -97.65 -171.43 2.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . -82.6 83.34 1.58 Allowed Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.601 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -92.87 152.37 41.53 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.643 0.259 . . . . 0.0 110.875 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -86.92 128.18 2.74 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.487 2.124 . . . . 0.0 112.988 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -110.8 119.5 59.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.965 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.1 119.26 23.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -123.09 165.8 18.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.38 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -94.56 160.93 14.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 49.7 m -68.33 -16.67 64.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.781 0.324 . . . . 0.0 111.599 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.94 13.94 24.44 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.571 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -71.38 108.86 5.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -63.9 152.54 39.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.932 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 54' ' ' TRP . 49.1 mm -62.24 -32.75 55.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 109.943 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.6 t80 -68.38 -40.18 81.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.4 mm-40 -69.06 -37.91 78.77 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.79 -38.36 78.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.896 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -58.75 -46.93 86.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.126 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.698 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 25' ' ' GLN . 98.9 t -57.42 -52.84 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 69' ' ' ILE . 59.3 t -65.62 -40.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.486 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 36' ' ' VAL . . . -63.55 -37.99 89.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -67.85 -47.72 68.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -62.37 -48.6 79.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.336 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -80.58 -33.04 36.34 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.524 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.78 44.46 4.51 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.53 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 28.6 m -125.82 157.1 70.1 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.63 119.31 6.32 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 111.387 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.85 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.52 -19.89 24.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 53.7 tp -61.14 131.4 50.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.545 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -106.43 133.08 51.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.319 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.73 130.66 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 111.074 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -129.45 135.28 61.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -138.75 126.57 22.25 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.251 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.82 18.29 9.6 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.11 0.564 . . . . 0.0 111.658 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.47 -0.05 65.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.852 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -126.61 176.11 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.289 . . . . 0.0 110.717 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -113.46 131.39 56.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.41 172.13 14.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.163 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -98.28 136.18 38.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.251 178.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.0 p30 -62.14 -26.16 68.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.46 10.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' O ' HG12 ' A' ' 23' ' ' ILE . 17.2 t-105 -109.61 161.32 15.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.49 0.186 . . . . 0.0 110.604 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 2.9 t -95.01 150.95 19.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.797 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.76 -28.02 29.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.735 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.6 tp-100 -71.35 -48.7 48.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -80.68 -2.55 47.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' THR . 9.2 t -94.31 -24.71 17.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.53 80.61 0.23 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.343 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.7 mp -102.29 -6.06 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.455 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 10.4 t0 -70.7 -44.95 65.91 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -112.12 -176.45 2.93 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.792 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' HB3' ' A' ' 65' ' ' SEP . 12.7 mm100 63.69 55.07 1.74 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.57 0.543 . . . . 0.0 111.588 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . 0.432 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 66' ' ' ILE . 13.9 tt -91.45 154.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.426 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 t -81.48 138.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.76 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -114.27 122.14 45.83 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 37.7 mt -122.93 118.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.109 0.48 . . . . 0.0 110.26 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 62.4 t -109.5 133.35 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.082 -177.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 50.0 tp60 -147.06 138.48 24.09 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.893 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -87.85 112.51 49.4 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.94 102.57 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.229 1.953 . . . . 0.0 111.781 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -83.31 -26.98 30.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -127.06 79.85 1.91 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.876 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.367 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.659 0.266 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 59.6 mt -105.25 129.1 58.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.95 146.6 26.82 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.274 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -81.42 133.67 35.44 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.486 HG22 ' HB ' ' A' ' 67' ' ' VAL . 88.5 t -131.94 130.91 61.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.692 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 12.6 ptp180 -109.7 121.47 45.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.026 0.441 . . . . 0.0 110.289 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -96.62 126.88 42.1 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.469 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.53 22.78 13.17 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.363 0.601 . . . . 0.0 110.299 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p 55.31 14.63 1.13 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.238 1.015 . . . . 0.0 112.798 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -90.41 -68.77 0.76 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.017 0.437 . . . . 0.0 111.008 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -114.96 153.97 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.01 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.18 120.81 4.35 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 121.157 -0.544 . . . . 0.0 111.988 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -123.51 150.36 60.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-O 120.601 0.239 . . . . 0.0 110.949 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.3 129.7 7.76 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.473 2.115 . . . . 0.0 112.085 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.78 122.46 68.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.291 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.75 118.66 29.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.113 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.1 158.78 20.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.005 0.431 . . . . 0.0 111.434 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.66 163.09 13.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 p -61.63 -22.85 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.423 . . . . 0.0 111.16 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.94 18.33 17.34 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.2 m -75.01 111.06 9.84 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -72.4 150.27 43.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.76 -34.02 42.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.997 0.427 . . . . 0.0 110.482 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.74 -46.93 86.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.122 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.539 ' O ' HG22 ' A' ' 29' ' ' VAL . 81.8 mm-40 -67.79 -43.29 80.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.65 -43.6 80.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.46 -47.07 85.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.966 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.4 -39.27 91.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 25' ' ' GLN . 78.3 t -58.1 -49.06 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.67 0.271 . . . . 0.0 110.594 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.21 -37.89 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 92.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.64 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -68.07 -36.79 80.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.667 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.8 tmt_? -58.44 -41.98 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.952 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -91.44 -14.52 30.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.965 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.64 45.88 26.88 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.227 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.5 m -127.59 158.18 70.79 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 122.624 0.37 . . . . 0.0 110.306 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 36.4 Cg_endo -66.88 120.16 7.23 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.437 2.091 . . . . 0.0 111.798 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.69 -19.01 60.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.671 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.71 -45.07 94.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.362 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.29 20.55 12.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.0 tp -97.24 136.18 38.11 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -124.69 132.08 53.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.073 0.463 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.69 133.67 38.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.616 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -123.38 127.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.138 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 83.1 t80 -139.08 124.16 18.94 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.972 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.43 23.76 11.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.416 . . . . 0.0 112.048 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 12.21 63.89 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.308 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 18.6 ptpt -133.02 174.93 9.83 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.0 127.65 53.66 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.0 159.05 31.23 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -82.81 138.77 33.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.238 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.43 -29.24 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -93.88 62.59 3.17 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.333 0.587 . . . . 0.0 111.087 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.517 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 33.7 t-105 -162.89 158.27 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.289 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -79.14 144.16 34.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.283 0.563 . . . . 0.0 112.139 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.58 -28.27 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.405 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.81 -35.7 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.851 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.51 -18.29 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.444 . . . . 0.0 110.763 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.517 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 85.0 m -82.68 -20.68 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 11.7 m-20 58.76 71.95 0.56 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.293 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 10.4 mp -86.15 0.85 52.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.545 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.62 -3.23 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 0.0 110.558 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 15.0 mm100 -78.13 -39.35 41.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.101 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.36 170.46 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 ' HE ' ' A' ' 6' ' ' ARG . 17.2 tt -153.75 145.82 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 5' ' ' VAL . 21.5 t -90.84 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 12.0 m170 -107.56 131.95 53.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.1 120.79 41.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.111 0.481 . . . . 0.0 110.508 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -122.15 147.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.855 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' OE1' ' HE2' ' A' ' 76' ' ' LYS . 7.0 tt0 -97.94 142.26 29.9 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -107.71 98.71 25.88 Favored Pre-proline 0 C--N 1.313 -1.004 0 CA-C-O 120.805 0.335 . . . . 0.0 110.505 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 53.8 Cg_exo -57.18 128.61 30.4 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.339 2.693 . . . . 0.0 113.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -97.0 -53.76 3.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.266 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -140.59 32.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.853 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HE2' ' OE1' ' A' ' 71' ' ' GLN . 28.7 mtpp . . . . . 0 C--O 1.246 0.886 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.318 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 27.0 ttt . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.38 117.23 54.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.363 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.84 151.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.919 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -88.88 140.72 29.15 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.088 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 59.8 t -132.24 133.38 60.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 111.513 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -110.96 107.8 17.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.557 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.81 143.86 31.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -53.34 -23.14 8.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.194 0.597 . . . . 0.0 112.424 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -80.33 29.78 0.29 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m 61.71 32.16 18.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.695 0.398 . . . . 0.0 111.424 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -124.19 111.13 15.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.325 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.43 118.2 4.31 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CE1' HG22 ' A' ' 15' ' ' VAL . 7.0 p90 -140.08 159.51 63.94 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 116.692 0.246 . . . . 0.0 110.916 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.05 128.94 6.67 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.761 2.307 . . . . 0.0 111.451 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 HG22 ' CE1' ' A' ' 13' ' ' PHE . 58.3 t -109.19 122.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.62 113.72 26.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.547 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.26 -179.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -98.31 175.32 6.1 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.998 0.427 . . . . 0.0 110.713 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 6.1 p -80.31 -3.46 49.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 110.522 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -115.26 14.15 16.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.9 m -79.41 102.54 8.77 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 121.142 0.496 . . . . 0.0 110.998 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 7.3 m -66.49 152.66 44.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 47.4 mm -57.22 -31.86 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 59.5 t80 -63.84 -47.03 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.396 0.617 . . . . 0.0 109.421 176.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 29' ' ' VAL . 15.0 mm100 -66.25 -38.91 89.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.445 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -54.25 -45.97 72.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.73 -46.09 88.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.62 -34.14 76.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.153 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 25' ' ' GLN . 95.0 t -61.0 -47.99 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.035 0.445 . . . . 0.0 109.808 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.67 -38.44 80.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.7 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.56 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -75.27 -24.67 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.362 . . . . 0.0 110.988 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.187 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.72 -19.3 20.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.617 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.59 46.83 6.23 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.736 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.48 154.05 62.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.471 0.177 . . . . 0.0 110.594 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.43 115.65 3.64 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.602 2.201 . . . . 0.0 111.826 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.26 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.986 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 0.0 110.475 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.05 26.28 10.57 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.732 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.0 tp -122.11 142.97 49.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.726 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -133.77 136.49 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 0.0 111.472 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.04 134.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.395 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.9 135.91 62.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.288 0.566 . . . . 0.0 111.216 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' CD2' HD21 ' A' ' 50' ' ' LEU . 88.9 t80 -152.28 128.27 10.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.268 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.56 21.88 12.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.364 0.415 . . . . 0.0 111.882 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.99 -3.0 76.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.087 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -126.15 -175.66 3.43 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.56 140.98 39.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 23' ' ' ILE . 86.6 mt -76.42 150.82 36.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.38 0.609 . . . . 0.0 111.843 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 9.2 ptm180 -61.77 108.89 1.08 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.519 -1.219 . . . . 0.0 110.388 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.5 p30 -60.45 -22.54 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.215 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.09 -18.52 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.546 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 17.4 t-105 -93.22 157.67 16.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.761 0.315 . . . . 0.0 111.747 -175.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 4.4 t -86.09 145.74 26.92 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.812 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.47 -29.2 30.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.99 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -63.92 -54.15 39.21 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.53 -176.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -71.31 -19.71 62.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.594 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.4 -15.71 59.88 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.038 0.447 . . . . 0.0 110.317 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.6 m-20 54.84 50.49 15.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.159 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.22 -27.31 63.81 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.975 0.417 . . . . 0.0 110.784 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.37 -26.89 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.887 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -102.65 7.14 39.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.958 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 75.8 mm-40 -120.15 -154.78 0.59 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . 0.429 ' HA ' ' O2P' ' A' ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -91.16 148.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 120.914 0.387 . . . . 0.0 110.706 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 58.6 t -84.28 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -116.31 151.33 36.07 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.6 mt -139.11 123.09 19.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.933 0.397 . . . . 0.0 110.56 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -107.17 144.0 16.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.31 121.19 41.45 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -127.31 86.65 58.18 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-O 120.939 0.399 . . . . 0.0 111.01 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -95.25 159.49 1.64 Allowed 'Trans proline' 0 N--CA 1.435 -1.962 0 C-N-CA 122.768 2.312 . . . . 0.0 111.659 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.7 m-90 -82.04 80.79 8.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.914 0.388 . . . . 0.0 110.625 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 57.71 81.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.446 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.487 177.191 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.428 HG12 ' HG2' ' A' ' 16' ' ' GLU . 77.8 mt -100.03 117.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.08 155.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' C ' HG13 ' A' ' 66' ' ' ILE . 76.3 m-85 -92.18 130.02 37.99 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.78 129.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.264 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.484 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.5 ptp180 -114.89 119.45 36.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.149 0.499 . . . . 0.0 109.723 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -91.29 145.93 24.24 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.38 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.01 30.86 3.0 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.368 1.067 . . . . 0.0 112.909 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m 65.95 20.67 11.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.455 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -87.16 -152.49 0.19 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -75.05 159.98 31.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.863 0.364 . . . . 0.0 110.809 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.86 130.76 10.47 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.682 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -116.61 154.86 49.28 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.4 125.49 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.729 2.286 . . . . 0.0 112.522 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -112.92 117.03 54.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.815 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HG2' HG12 ' A' ' 2' ' ' ILE . 2.1 tm-20 -90.69 113.75 25.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.192 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.26 -174.33 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.444 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -94.21 168.22 11.05 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.483 ' HB3' ' OE1' ' A' ' 57' ' ' GLN . 66.3 m -83.27 7.76 15.43 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.491 0.662 . . . . 0.0 109.653 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.97 4.23 8.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.971 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -67.73 114.91 6.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 15.9 m -69.46 148.67 49.22 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 50.2 mm -54.58 -36.68 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 56.3 t80 -64.57 -41.97 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 0.0 110.232 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' O ' HG21 ' A' ' 29' ' ' VAL . 27.4 mt-30 -65.17 -41.96 94.13 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.376 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.235 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.14 -40.28 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.049 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.9 -35.55 80.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 25' ' ' GLN . 79.9 t -64.95 -49.9 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.259 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.87 -36.68 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.22 60.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.384 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HZ1' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -71.57 -29.6 64.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 111.001 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -64.38 -38.89 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.241 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.02 -20.15 16.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.766 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.56 45.83 5.39 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.94 157.5 63.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 C-N-CA 122.2 0.2 . . . . 0.0 110.565 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 113.66 3.41 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.414 2.076 . . . . 0.0 112.063 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -28.45 68.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.896 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.74 -40.89 79.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.154 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.505 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 96.8 mt-30 -94.69 16.36 15.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.545 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.56 136.84 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.701 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -122.84 131.12 53.61 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.568 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.38 116.15 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.158 0.504 . . . . 0.0 110.61 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.97 136.39 54.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.306 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -128.25 107.23 9.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.46 -63.58 0.34 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.973 0.796 . . . . 0.0 111.187 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.03 2.22 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -120.76 179.0 4.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.353 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -121.93 131.13 53.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HB2' HG23 ' A' ' 23' ' ' ILE . 27.7 mt -71.4 142.09 50.32 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.852 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -57.8 113.31 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.701 177.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 p-10 -56.7 -33.01 66.04 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.74 17.36 19.51 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.605 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' SER . 6.7 t90 -117.69 166.47 12.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.148 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -68.95 144.32 54.19 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -79.09 -20.75 12.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.416 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 19' ' ' SER . 24.3 tt0 -58.69 -47.17 85.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 13.4 t-20 -85.05 8.06 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.333 0.587 . . . . 0.0 110.903 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 23' ' ' ILE . 84.4 m -93.29 -15.76 25.46 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.38 38.14 27.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.578 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 67' ' ' VAL . 51.0 mt -71.83 2.83 4.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.439 0.638 . . . . 0.0 111.109 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.01 -18.43 13.36 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.479 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -107.34 -51.73 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.458 ' HG3' ' H ' ' A' ' 65' ' ' SEP . 10.1 pt20 -82.22 -68.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . 0.458 ' H ' ' HG3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.484 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.0 tt -92.09 154.49 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.498 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.2 t -88.16 132.64 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 9.4 m170 -106.68 108.59 20.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.15 119.92 53.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.29 0.567 . . . . 0.0 111.548 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.88 140.05 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.818 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -116.91 143.3 45.86 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.373 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -129.22 76.6 78.81 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-O 121.001 0.429 . . . . 0.0 110.029 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 69.0 Cg_endo -93.4 164.37 2.4 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 123.161 2.574 . . . . 0.0 111.993 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -109.39 -18.96 13.43 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.152 0.501 . . . . 0.0 110.085 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -136.73 93.45 2.86 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.185 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.355 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 87.2 mt -82.94 112.1 20.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.68 168.23 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.302 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' C ' HG13 ' A' ' 66' ' ' ILE . 28.2 m-85 -104.46 125.3 50.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.126 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.25 142.84 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.654 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -130.3 122.17 27.46 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.369 0.604 . . . . 0.0 110.842 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -87.25 152.25 22.46 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -51.79 -25.27 7.29 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -101.94 15.99 27.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -140.31 174.44 10.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -96.68 -52.42 3.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.332 0.587 . . . . 0.0 110.048 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 129.74 1.3 Allowed Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.658 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -139.13 143.11 35.35 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-O 120.771 0.32 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.57 137.55 14.64 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.363 2.042 . . . . 0.0 111.938 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.75 119.25 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.972 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 41.7 tt0 -84.42 111.97 19.94 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.95 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.24 174.39 4.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.07 162.26 28.69 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 m -62.0 -25.97 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.376 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 70.84 1.08 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.954 0.883 . . . . 0.0 111.326 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -103.83 107.39 18.24 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.038 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -61.27 144.66 53.44 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 44.8 mm -54.1 -32.38 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 120.797 0.332 . . . . 0.0 111.184 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.424 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.8 t80 -62.44 -48.96 77.36 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.069 0.461 . . . . 0.0 110.03 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.0 mm100 -67.03 -39.43 86.99 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.446 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.44 -41.75 76.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.25 -42.71 91.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.038 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.32 -31.82 66.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.955 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -59.45 -46.72 92.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.99 0.424 . . . . 0.0 110.402 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.96 -39.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.225 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.99 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.614 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -66.61 -40.36 88.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.258 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -61.6 -37.86 85.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.912 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -94.6 -11.7 28.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.899 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 45.21 66.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.64 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.95 156.78 61.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.55 0.214 . . . . 0.0 110.783 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.7 125.0 11.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.291 1.994 . . . . 0.0 111.729 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.16 48.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.486 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.94 -51.61 31.37 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.083 0.468 . . . . 0.0 110.344 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -90.64 11.3 22.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.723 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -95.67 135.2 37.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.213 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -121.48 141.07 51.38 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.887 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.411 HG13 HG12 ' A' ' 69' ' ' ILE . 34.8 m -118.02 130.99 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 39.8 mm -124.65 132.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 75.6 t80 -151.4 135.72 16.83 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.0 18.68 4.87 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -5.97 79.32 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.285 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -170.31 3.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.58 151.05 20.35 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.399 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HB2' HG22 ' A' ' 23' ' ' ILE . 94.4 mt -97.66 159.1 15.13 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.061 0.458 . . . . 0.0 110.911 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 7.8 ptm180 -63.46 122.84 17.24 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.636 175.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.503 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p30 -66.54 -22.34 66.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -92.47 17.42 10.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.524 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 23.8 t-105 -119.59 150.73 39.81 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.149 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -73.05 150.22 42.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.848 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.17 -31.1 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.591 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' SER . 26.3 tp60 -60.77 -34.46 74.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.293 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -81.69 -17.3 48.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.56 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 61.1 m -97.47 -16.24 20.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 57.45 64.32 1.62 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 10.2 mp -83.2 8.52 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 110.765 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -115.07 0.53 13.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.982 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -119.16 -64.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.172 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.47 -84.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.449 HG13 ' C ' ' A' ' 4' ' ' PHE . 17.0 tt -98.88 151.43 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -80.89 111.04 17.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 12.1 m170 -84.26 110.33 18.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.332 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.411 HG12 HG13 ' A' ' 43' ' ' VAL . 25.1 mt -114.38 128.59 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 120.977 0.418 . . . . 0.0 111.511 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -133.2 154.26 39.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.931 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -136.59 147.85 47.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -121.25 88.08 45.18 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-O 121.336 0.589 . . . . 0.0 110.989 177.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 -178.63 2.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.99 2.46 . . . . 0.0 112.401 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.45 ' CH2' ' HD3' ' A' ' 75' ' ' ARG . 74.3 t90 -135.29 110.25 8.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.988 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HD3' ' CH2' ' A' ' 74' ' ' TRP . 63.3 mtp180 59.61 40.39 20.22 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.807 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.068 177.816 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.936 0.398 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.47 118.11 49.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -104.0 156.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.496 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -101.96 138.83 38.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.886 0.374 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.87 129.5 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-O 121.487 0.66 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -106.45 101.92 11.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.681 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.86 121.24 25.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.68 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.36 22.94 13.56 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.4 0.619 . . . . 0.0 109.812 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m 66.7 14.1 9.63 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.483 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -91.8 120.36 32.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.6 m80 64.37 -79.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.09 81.38 1.29 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -94.34 154.44 40.35 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-O 120.688 0.28 . . . . 0.0 111.501 -175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.67 135.32 4.14 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.032 2.488 . . . . 0.0 112.43 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.87 130.71 74.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.343 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.93 133.16 34.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.041 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.42 172.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.86 168.26 9.4 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -64.96 -19.19 65.84 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.988 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.12 7.24 21.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.678 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -64.24 111.47 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 111.136 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 22.9 m -72.71 153.66 41.06 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.944 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.31 -33.81 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.036 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 67.2 t80 -60.45 -46.5 89.84 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.986 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' HG21 ' A' ' 29' ' ' VAL . 32.6 mm-40 -64.62 -44.58 90.09 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.135 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 tp -57.5 -42.05 81.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.98 -46.02 89.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.869 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.15 -39.68 93.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.369 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 25' ' ' GLN . 90.0 t -59.01 -48.03 88.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.998 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.61 -37.96 75.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -53.52 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.672 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 62.8 pttt -66.63 -30.15 70.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.93 -31.12 69.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -101.41 -3.17 29.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.388 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.62 34.0 63.31 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.664 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.97 157.55 48.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 O-C-N 122.654 -0.321 . . . . 0.0 111.021 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.94 127.79 12.53 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.338 2.025 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.42 45.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 111.15 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.2 -35.02 75.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.636 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -107.59 25.68 11.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.31 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.3 tp -103.96 137.86 41.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.48 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -107.34 139.48 41.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.226 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 m -120.68 118.31 56.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.224 0.535 . . . . 0.0 110.939 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -122.23 136.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -145.54 126.6 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.612 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.15 25.17 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.418 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.36 -8.55 77.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.131 -0.557 . . . . 0.0 113.526 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.53 35.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.123 0.461 . . . . 0.0 111.772 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.55 140.25 39.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -87.06 133.95 33.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.63 133.37 54.77 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.5 p30 -65.4 -28.95 69.62 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -102.62 73.01 1.27 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.57 0.7 . . . . 0.0 111.171 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' SER . 57.7 t-105 -157.44 150.68 23.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.524 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -78.17 138.67 38.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.501 0.667 . . . . 0.0 111.908 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -74.8 -22.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.571 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.02 -42.68 80.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.87 -6.52 49.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 111.099 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -88.43 -16.71 32.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.649 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 11.5 m-20 49.76 51.63 16.14 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.06 -24.09 65.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.722 0.296 . . . . 0.0 111.277 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.28 -32.0 73.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -99.6 -37.4 9.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.25 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 67.6 mm-40 -78.46 -160.39 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 0.0 111.152 -177.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt -90.62 150.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.669 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.92 129.4 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.724 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -100.7 108.54 20.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.027 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -116.23 124.43 72.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -135.4 148.63 28.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.444 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.99 139.14 35.09 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.396 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -108.78 96.78 21.07 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.0 96.14 0.68 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.403 2.068 . . . . 0.0 111.925 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -70.7 -20.71 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.491 0.663 . . . . 0.0 109.633 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.01 98.49 5.92 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.65 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HD3' ' OXT' ' A' ' 76' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.309 -1.159 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.488 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.63 123.0 48.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -111.66 165.97 6.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' C ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -111.6 137.33 49.6 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 67' ' ' VAL . 34.5 m -134.49 145.32 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-O 121.309 0.576 . . . . 0.0 111.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -104.3 147.94 26.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.636 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.2 143.12 50.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -60.18 -23.38 63.93 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -103.58 12.49 34.9 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -153.97 -167.24 2.6 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.5 -74.29 0.55 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.94 140.2 5.19 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -139.85 150.62 63.26 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.985 0.393 . . . . 0.0 111.541 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -80.29 139.79 13.36 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.732 2.288 . . . . 0.0 112.13 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.48 127.03 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.72 116.12 23.06 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.24 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.21 174.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.69 176.21 5.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.967 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -70.18 -35.1 73.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.906 0.384 . . . . 0.0 111.23 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -97.04 10.95 37.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -66.89 116.38 7.69 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.274 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -71.13 150.44 45.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.521 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.8 mm -60.61 -38.87 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.188 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.64 -40.82 96.11 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 mm100 -66.26 -39.87 89.78 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.984 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.97 -48.59 81.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.44 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.98 -37.46 82.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 109.613 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -65.5 -43.08 91.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.154 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 25' ' ' GLN . 84.0 t -60.99 -48.6 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.59 -36.77 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.865 0.364 . . . . 0.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.73 31.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.148 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 48.5 pttt -66.24 -30.43 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.276 . . . . 0.0 111.238 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -63.76 -47.45 80.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.838 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -82.61 -15.53 51.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.95 29.46 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.72 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -118.35 163.0 27.35 Favored Pre-proline 0 C--N 1.317 -0.832 0 C-N-CA 122.285 0.234 . . . . 0.0 110.414 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.08 119.05 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.671 2.248 . . . . 0.0 112.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.77 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.83 -52.99 61.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.365 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -106.19 32.18 4.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.296 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.1 tp -96.69 130.82 43.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -116.4 122.52 45.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.901 0.381 . . . . 0.0 111.274 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.79 119.98 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -115.7 128.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 0.0 111.217 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -133.7 122.15 22.97 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.224 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.19 15.57 8.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.124 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.63 -2.52 49.32 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.26 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -132.15 170.33 15.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.968 0.384 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.29 136.66 39.83 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD12 HD13 ' A' ' 61' ' ' LEU . 75.6 mt -71.28 154.02 41.95 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.554 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' HB3' ' A' ' 54' ' ' TRP . 5.4 ptm180 -65.32 108.56 1.97 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.712 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p30 -65.83 -21.04 66.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.421 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.96 4.97 48.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.464 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.2 t-105 -115.1 177.23 4.73 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.654 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -83.94 160.59 21.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.115 0.566 . . . . 0.0 111.619 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.38 -38.05 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.21 -32.51 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.979 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -67.99 -17.14 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.0 110.174 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.9 t -88.38 -15.58 35.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.187 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 56.37 47.14 19.62 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.597 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD13 HD12 ' A' ' 50' ' ' LEU . 4.1 mm? -51.54 -56.24 14.57 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -26.0 68.11 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.048 0.452 . . . . 0.0 111.818 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.77 11.12 30.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -128.03 -71.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 4' ' ' PHE . 19.6 tt -91.55 141.76 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' HB ' HG12 ' A' ' 5' ' ' VAL . 18.0 t -86.01 136.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.639 0.256 . . . . 0.0 110.586 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -99.94 107.99 20.11 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 mt -105.77 119.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-O 121.117 0.484 . . . . 0.0 110.933 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -124.65 137.65 56.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.8 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -107.99 153.46 23.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.878 0.37 . . . . 0.0 110.527 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -145.26 92.77 5.57 Favored Pre-proline 0 C--N 1.313 -0.992 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.631 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.17 94.79 0.36 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.712 2.275 . . . . 0.0 112.885 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -61.62 -64.48 0.93 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.497 0.665 . . . . 0.0 109.519 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -128.42 26.45 5.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.467 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt . . . . . 0 C--O 1.242 0.677 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.677 -178.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.091 0.472 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.86 113.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.57 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.44 157.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.04 136.46 34.3 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.682 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 67' ' ' VAL . 46.6 t -133.53 130.23 56.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.689 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 57.0 mtp180 -103.68 103.2 13.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.313 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -80.95 134.72 35.76 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 66.55 16.17 10.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.468 0.707 . . . . 0.0 109.345 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t 65.93 20.22 11.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.556 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -92.55 -146.24 0.22 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.597 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.7 142.08 50.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.893 0.378 . . . . 0.0 111.525 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.29 126.95 8.88 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.552 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -120.51 147.17 44.84 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.7 132.0 22.5 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.473 2.115 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -117.71 125.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.394 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.82 121.86 35.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.88 0.372 . . . . 0.0 111.316 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.87 171.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.455 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.44 168.99 12.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.8 p -64.2 -39.32 93.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.231 0.539 . . . . 0.0 111.63 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.0 17.3 8.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.076 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.08 123.89 23.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.051 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 84.0 p -79.13 160.96 26.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 50' ' ' LEU . 48.9 mm -60.68 -30.11 46.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.893 0.378 . . . . 0.0 110.61 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 76.3 t80 -66.56 -46.67 75.29 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 29' ' ' VAL . 57.6 mt-30 -61.58 -44.04 97.75 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.04 -44.56 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.418 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.42 -37.26 86.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 25' ' ' GLN . 85.1 t -61.44 -46.1 97.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 110.092 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.74 -37.59 69.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.469 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -51.99 67.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.177 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -69.16 -28.4 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 110.656 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -65.95 -33.33 75.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.852 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -102.21 -7.1 22.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.144 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.75 41.95 81.32 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.855 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.83 161.79 44.57 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.107 0.163 . . . . 0.0 110.804 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.59 127.65 9.75 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.669 2.246 . . . . 0.0 111.697 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.0 -13.5 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.31 -58.33 8.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.116 0.484 . . . . 0.0 110.592 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -92.86 19.87 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.566 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.2 tp -92.98 125.61 37.66 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.483 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -105.97 132.97 51.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.543 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.21 127.47 67.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.5 mm -124.48 126.15 71.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 111.023 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 88.8 t80 -135.9 120.0 17.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.65 21.28 9.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.11 0.481 . . . . 0.0 110.982 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.6 11.73 70.78 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.936 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -142.93 159.99 41.19 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.14 148.05 25.37 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' HG21 ' A' ' 23' ' ' ILE . 90.3 mt -95.92 157.23 15.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.288 0.566 . . . . 0.0 111.574 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.07 117.69 5.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.947 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 4.0 p-10 -57.93 -29.82 65.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.5 79.68 1.27 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.396 0.617 . . . . 0.0 111.533 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' A' ' 22' ' ' SER . 48.5 t-105 -165.13 143.25 6.25 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.734 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.45 128.37 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.276 0.56 . . . . 0.0 112.17 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG23 HD22 ' A' ' 61' ' ' LEU . 11.9 p -68.48 -25.0 30.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -42.36 84.01 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.605 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.26 -19.66 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.425 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 75.8 m -77.61 -17.59 57.65 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.49 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 68.64 27.77 5.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.048 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 56' ' ' VAL . 10.4 mp -64.09 -17.11 63.1 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.33 -40.18 64.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.192 0.52 . . . . 0.0 110.231 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -88.97 -32.23 17.74 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.184 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -83.97 -163.6 0.8 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.5 tt -91.03 147.43 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.912 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HB ' HG22 ' A' ' 5' ' ' VAL . 8.2 t -87.26 132.78 31.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.905 -177.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.466 ' NE2' ' HD3' ' A' ' 6' ' ' ARG . 12.3 m-70 -106.19 108.27 19.69 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.3 mt -109.48 117.9 55.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.3 t -113.94 136.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 120.787 0.327 . . . . 0.0 110.726 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -95.63 134.02 39.01 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -103.09 106.56 51.57 Favored Pre-proline 0 C--N 1.309 -1.153 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.89 105.19 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.232 2.622 . . . . 0.0 113.572 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -113.94 -32.16 6.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.349 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -117.97 15.12 14.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.409 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm . . . . . 0 C--O 1.242 0.692 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.072 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 25.9 ttt . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 120.937 0.399 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.3 mt -96.26 119.65 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -118.09 150.56 20.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -93.3 140.15 29.87 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.41 138.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.133 0.492 . . . . 0.0 111.754 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -110.44 116.88 32.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.754 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -91.28 151.91 20.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.052 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.9 t30 -46.37 120.39 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.807 0.843 . . . . 0.0 112.302 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 66.63 15.2 10.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.051 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -127.36 -175.94 3.59 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -109.07 -175.49 2.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.75 0.309 . . . . 0.0 111.344 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.72 129.36 9.09 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.442 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -134.0 145.6 56.45 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.89 135.83 10.21 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.35 2.033 . . . . 0.0 112.687 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.12 123.01 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.396 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.41 109.58 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.527 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.86 164.38 8.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.51 156.95 16.12 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 m -64.31 -9.41 17.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.86 7.87 12.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.204 0.526 . . . . 0.0 111.07 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.34 108.06 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.414 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 155.63 40.09 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.021 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.46 -36.92 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 120.866 0.365 . . . . 0.0 110.697 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 71.9 t80 -62.21 -45.32 93.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.988 176.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.542 ' O ' HG21 ' A' ' 29' ' ' VAL . 82.0 mm-40 -63.18 -43.85 97.07 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.36 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -57.29 -44.35 83.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.064 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpp -61.14 -42.73 99.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.142 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.39 -37.14 82.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.175 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 25' ' ' GLN . 65.9 t -59.98 -51.04 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.05 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.737 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 59.6 pttt -65.44 -34.62 78.72 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.502 0.191 . . . . 0.0 111.471 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -61.55 -42.78 99.33 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.16 -7.25 42.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.53 40.41 59.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.353 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.73 154.45 48.05 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.27 115.99 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.415 2.077 . . . . 0.0 112.076 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.85 64.89 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -71.99 -21.82 61.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 81.6 mm-40 -107.74 10.91 28.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.523 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.96 137.5 42.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.568 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -123.88 133.1 53.83 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.349 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.51 128.9 62.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.093 0.473 . . . . 0.0 110.71 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.95 119.58 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.776 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 76.6 t80 -117.55 116.45 27.13 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.91 20.42 12.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.196 0.522 . . . . 0.0 111.34 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.18 4.12 69.07 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.001 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -129.47 171.81 12.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.134 0.492 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.2 143.02 36.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.974 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 mt -98.43 -166.8 1.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.732 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -101.83 122.82 44.7 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.9 p-10 -56.2 -36.08 68.01 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -173.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.51 17.8 10.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -110.96 150.79 28.73 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.948 -0.47 . . . . 0.0 110.469 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.67 148.68 51.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.49 0.662 . . . . 0.0 112.233 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.423 ' CG2' HD23 ' A' ' 61' ' ' LEU . 11.9 p -74.25 -24.36 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.5 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -63.69 -57.77 8.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.005 -178.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -64.62 -17.61 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.257 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.0 m -80.37 -8.18 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.154 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 51.06 58.55 5.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.62 0.768 . . . . 0.0 112.795 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -70.3 -57.79 4.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.737 0.303 . . . . 0.0 111.13 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.08 -35.63 59.78 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.305 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -75.29 -38.34 60.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.216 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -92.84 -76.4 0.47 Allowed 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -91.0 147.3 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.243 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 61' ' ' LEU . 13.0 t -85.6 139.17 17.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -112.4 108.2 17.27 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.55 118.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 121.044 0.449 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 8.8 p -120.36 135.85 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.971 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -104.17 120.1 40.4 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.8 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.31 89.3 45.05 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.772 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.482 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 5.4 Cg_exo -73.65 115.38 4.31 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.732 2.288 . . . . 0.0 112.851 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -80.76 -25.42 37.97 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 75' ' ' ARG . 4.8 tpm_? -156.56 100.76 1.97 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.486 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 11.9 ttpp . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.933 0.397 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -99.19 122.3 50.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.0 147.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' C ' HG13 ' A' ' 66' ' ' ILE . 93.9 m-85 -92.38 129.08 38.41 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.317 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -139.63 135.35 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.414 0.626 . . . . 0.0 112.409 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 89.0 mtt180 -107.89 108.92 20.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.055 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -80.57 127.13 32.1 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 65.1 15.71 10.15 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.631 0.582 . . . . 0.0 109.612 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m 58.58 29.72 18.84 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.966 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -67.01 -79.21 0.05 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.113 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -132.43 -58.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.79 131.16 3.32 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.584 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -137.87 149.92 65.94 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.19 112.3 0.57 Allowed 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.816 2.344 . . . . 0.0 112.968 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -99.14 124.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.035 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.89 117.39 30.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -124.17 -179.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.355 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -92.52 172.06 8.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -63.8 -37.32 86.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.116 0.484 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.03 69.24 1.3 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.498 0.666 . . . . 0.0 109.628 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -119.75 111.83 18.5 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.136 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 21.4 m -73.12 151.12 41.73 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -57.03 -34.13 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.53 -49.69 75.52 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.176 0.513 . . . . 0.0 109.847 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.7 mt-30 -65.62 -43.14 90.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.366 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.37 -42.58 82.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -60.66 -45.04 95.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.937 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' OE1' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -68.11 -33.42 74.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.959 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -62.96 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 110.18 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -37.19 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.155 0.503 . . . . 0.0 110.17 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.02 83.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.62 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.94 -30.58 69.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.368 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -65.4 -51.53 59.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.677 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -82.92 -13.94 55.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.608 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.63 47.69 14.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.714 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.9 m -126.03 154.85 73.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 C-N-CA 122.126 0.17 . . . . 0.0 110.646 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.25 112.18 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.768 2.312 . . . . 0.0 112.309 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . . . -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.63 -31.09 69.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -102.23 21.06 15.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.32 144.85 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.737 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -131.18 134.91 46.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.445 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.6 m -102.98 123.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.004 0.431 . . . . 0.0 111.975 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -119.21 131.54 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.08 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -119.73 110.56 16.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.66 -66.25 0.25 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.747 0.819 . . . . 0.0 111.636 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.02 17.38 0.22 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.689 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 164.62 33.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.17 159.68 14.77 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.778 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.46 151.47 24.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 152.98 43.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -81.33 -26.53 35.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.942 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.84 74.36 1.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.567 0.699 . . . . 0.0 111.294 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.0 t-105 -165.73 148.87 7.73 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.53 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 t -80.47 143.65 33.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.312 0.577 . . . . 0.0 111.804 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG22 HD23 ' A' ' 61' ' ' LEU . 11.2 p -73.54 -24.83 20.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.9 -45.9 90.35 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.431 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -16.08 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 -178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.8 m -87.71 -22.91 24.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 59.2 48.17 10.73 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.305 0.642 . . . . 0.0 112.416 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 HG22 ' A' ' 56' ' ' VAL . 6.5 mp -71.65 0.33 8.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.027 0.442 . . . . 0.0 111.438 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.23 -19.92 19.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -106.83 -34.59 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.39 -165.72 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.552 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 18.5 tt -90.06 147.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.173 0.511 . . . . 0.0 111.148 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 t -85.59 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.209 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -118.59 107.52 13.84 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.5 mt -95.56 119.15 43.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -106.41 135.0 46.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.538 HE22 ' HB ' ' A' ' 36' ' ' VAL . 20.2 tt0 -106.62 125.61 51.22 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.39 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -115.93 89.25 23.82 Favored Pre-proline 0 C--N 1.312 -1.039 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -71.68 150.17 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.719 2.28 . . . . 0.0 113.49 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -93.78 -49.93 5.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.776 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -139.73 96.54 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.385 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.866 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.107 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.54 0.21 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.9 mt -110.19 110.7 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.03 162.62 3.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -105.19 143.26 33.62 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.83 139.65 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.891 0.377 . . . . 0.0 111.691 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -109.6 97.41 6.97 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -83.44 141.88 31.37 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 64.83 14.76 9.42 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.545 0.688 . . . . 0.0 109.742 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t 64.01 19.15 11.62 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.26 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m -88.99 -158.8 0.52 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.482 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -61.73 137.9 58.28 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.84 0.353 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.01 137.64 19.57 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.964 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -123.89 147.72 54.68 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.19 131.33 12.86 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.688 2.259 . . . . 0.0 113.173 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.48 119.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.242 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.17 125.92 30.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.811 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.94 158.93 41.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.26 160.47 18.43 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -69.25 -24.64 64.02 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.93 -0.5 57.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -70.67 120.8 16.82 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -80.64 156.25 26.46 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 50' ' ' LEU . 49.3 mm -56.47 -38.56 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.733 0.302 . . . . 0.0 110.664 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.4 t80 -59.22 -44.27 92.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.1 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' O ' HG22 ' A' ' 29' ' ' VAL . 77.5 mm-40 -66.46 -48.08 71.05 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.24 -43.56 78.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 86.7 tttt -57.58 -47.58 81.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.027 177.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.17 -37.44 78.18 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.733 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 25' ' ' GLN . 78.6 t -59.23 -49.87 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.568 0.223 . . . . 0.0 110.849 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.57 -45.6 98.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.174 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.61 95.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.33 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -65.79 -41.24 92.22 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.276 0.63 . . . . 0.0 110.778 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -61.91 -45.07 95.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.737 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -85.37 -21.54 28.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.625 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 43.37 6.08 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.955 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.78 154.6 55.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.38 117.57 4.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.483 2.122 . . . . 0.0 111.95 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -76.19 -25.36 55.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.08 -15.64 63.02 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -117.2 17.64 14.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.573 0.701 . . . . 0.0 109.656 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -101.35 144.39 30.22 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.301 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 HG13 ' A' ' 44' ' ' ILE . 6.3 tmm_? -131.04 131.8 44.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.603 0.24 . . . . 0.0 111.024 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 m -107.16 143.99 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.353 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG13 HH11 ' A' ' 42' ' ' ARG . 25.7 mm -134.93 132.32 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.126 0.488 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -137.92 115.21 11.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.135 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.52 17.41 10.64 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.328 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.36 -14.79 47.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.422 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 155.02 33.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.094 0.447 . . . . 0.0 111.723 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.7 146.66 28.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.071 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' HG22 ' A' ' 23' ' ' ILE . 72.3 mt -87.31 151.86 22.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 -178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.67 122.26 17.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 29.3 p-10 -62.71 -46.66 87.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -87.53 57.76 4.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.962 0.411 . . . . 0.0 112.051 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -149.78 149.95 31.3 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.5 p -61.31 143.91 54.85 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.38 0.672 . . . . 0.0 111.793 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.18 -19.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.023 0.44 . . . . 0.0 110.103 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.7 -35.81 81.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -86.86 14.25 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.24 115.29 23.32 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -69.41 50.41 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.882 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.58 -25.95 54.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.062 0.458 . . . . 0.0 110.295 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -87.32 -29.26 21.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.643 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -82.39 -29.04 31.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.586 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -102.4 -155.99 0.54 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.112 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.3 tt -89.98 147.57 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.824 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 t -87.36 136.07 23.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.897 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -103.59 139.8 38.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.794 0.33 . . . . 0.0 110.852 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.9 mt -135.48 129.61 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.487 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.02 138.93 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -96.03 130.56 43.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.036 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -143.94 86.65 8.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.889 0.376 . . . . 0.0 110.445 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -99.23 126.35 0.16 Allowed 'Trans proline' 0 N--CA 1.442 -1.512 0 C-N-CA 123.199 2.6 . . . . 0.0 113.737 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -88.79 107.64 19.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.794 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 56.8 76.33 0.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.256 0.55 . . . . 0.0 111.202 -177.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.906 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.481 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.623 0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.47 121.86 52.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.458 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.07 146.15 20.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 120.723 0.297 . . . . 0.0 110.352 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CB ' HG13 ' A' ' 66' ' ' ILE . 73.2 m-85 -84.77 128.9 34.83 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -134.41 139.36 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 112.122 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.529 ' NH2' ' HA ' ' A' ' 10' ' ' SER . 60.5 mtp180 -115.52 133.81 55.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.332 177.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -119.64 109.78 16.07 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.955 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.7 -44.83 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.209 . . . . 0.0 113.687 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -109.58 -170.49 1.66 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.059 0.457 . . . . 0.0 111.611 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.529 ' HA ' ' NH2' ' A' ' 6' ' ' ARG . 29.8 t -77.15 -11.56 59.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.67 126.34 28.1 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.009 0.433 . . . . 0.0 111.243 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.61 136.89 12.08 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.484 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -132.4 144.76 54.37 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-O 120.727 0.299 . . . . 0.0 110.61 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -81.42 121.31 3.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.16 119.69 51.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.87 115.88 25.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.06 168.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.57 164.31 26.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.75 -20.28 66.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.57 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.67 75.58 1.28 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.738 0.78 . . . . 0.0 109.934 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -121.44 108.8 14.08 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.174 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.61 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 16.4 m -65.26 151.34 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.483 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.89 -37.77 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.21 -42.58 96.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.965 0.412 . . . . 0.0 109.928 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' VAL . 98.7 mt-30 -65.82 -45.62 81.64 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.753 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -54.62 -44.01 72.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.717 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.08 -46.97 84.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.874 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.01 -36.08 77.4 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 25' ' ' GLN . 76.1 t -61.4 -47.3 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.518 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -66.9 -41.98 88.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 109.926 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.78 63.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.584 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.58 -32.07 73.57 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.725 0.298 . . . . 0.0 110.501 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -58.45 -44.83 89.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.81 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -92.52 -19.68 21.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.025 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.81 39.19 6.26 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.094 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.6 m -117.58 153.09 50.38 Favored Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 122.817 -0.225 . . . . 0.0 110.667 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.03 116.49 4.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.687 2.258 . . . . 0.0 113.296 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.5 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.336 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -63.58 -22.67 67.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.973 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 11.9 pt20 -127.07 15.02 7.34 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.055 0.455 . . . . 0.0 110.19 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 43.9 tp -84.39 128.81 34.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.756 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -103.05 138.57 39.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG13 HG12 ' A' ' 69' ' ' ILE . 27.3 m -127.92 139.02 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.206 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.5 mm -126.17 120.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.22 0.534 . . . . 0.0 111.414 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.578 ' CD2' HD21 ' A' ' 50' ' ' LEU . 53.1 t80 -129.84 111.59 12.74 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.57 22.09 13.02 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 111.243 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.47 15.35 58.66 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.15 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -149.16 174.6 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.67 -0.312 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -101.37 138.13 38.79 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 45' ' ' PHE . 89.0 mt -78.85 -178.24 5.91 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HB2' ' HB3' ' A' ' 54' ' ' TRP . 15.5 mmm180 -64.56 100.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.362 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -51.24 -51.83 50.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.784 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.1 65.81 1.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.439 0.638 . . . . 0.0 110.397 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' SER . 40.3 t-105 -164.27 147.4 9.29 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.836 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.76 142.56 58.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 112.76 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.47 -25.58 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.589 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 27.4 tt0 -59.13 -47.42 85.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.538 -178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.82 -23.69 65.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.328 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -85.98 -11.75 52.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 57.68 52.16 8.58 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD22 ' CG2' ' A' ' 67' ' ' VAL . 10.1 mp -68.27 -12.59 61.27 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.404 0.621 . . . . 0.0 110.885 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.13 -34.01 61.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -103.36 -32.09 9.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -104.79 107.86 19.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HG13 ' CB ' ' A' ' 4' ' ' PHE . 20.3 tt -127.6 148.31 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.439 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.502 ' CG2' HD22 ' A' ' 61' ' ' LEU . 15.8 t -81.72 120.94 34.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 120.609 0.243 . . . . 0.0 111.054 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -96.7 107.88 20.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 HG13 ' A' ' 43' ' ' VAL . 28.8 mt -106.94 128.86 61.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.44 135.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.642 0.258 . . . . 0.0 110.59 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.516 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 26.9 tt0 -135.69 125.47 25.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.57 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -132.55 83.25 54.57 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 4.3 Cg_exo -77.87 158.16 31.21 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.069 2.513 . . . . 0.0 112.626 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -88.5 -46.8 8.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.349 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -119.62 13.2 12.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.815 -176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 C--N 1.313 -1.014 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.456 -179.63 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.93 119.99 53.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.304 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.74 148.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 120.881 0.372 . . . . 0.0 110.542 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -89.87 137.25 32.5 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.778 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.36 139.17 42.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.431 0.634 . . . . 0.0 111.375 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HB2' ' HA ' ' A' ' 68' ' ' HIS . 15.4 mmm180 -102.76 144.86 30.57 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.685 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -136.86 150.5 48.31 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -52.79 123.16 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.824 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m 66.02 18.19 10.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.646 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -121.43 -162.96 1.0 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -117.68 -175.35 2.81 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.58 81.13 1.36 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -91.23 144.72 30.26 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-O 120.831 0.348 . . . . 0.0 111.65 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.42 131.87 5.75 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.595 2.196 . . . . 0.0 111.859 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG11 HG13 ' A' ' 17' ' ' VAL . 79.3 t -116.71 122.89 70.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.033 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.05 119.97 31.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.007 0.432 . . . . 0.0 110.593 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG13 HG11 ' A' ' 15' ' ' VAL . 19.5 m -131.74 174.65 12.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 2.1 m-20 -84.64 161.45 20.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m -71.67 -25.98 62.34 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.279 0.561 . . . . 0.0 110.064 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -93.09 1.43 57.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.12 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 18' ' ' ASP . 54.5 m -66.31 120.13 12.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 73.7 p -75.1 158.31 33.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.238 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.6 mm -61.45 -24.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.22 -46.82 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' HG22 ' A' ' 29' ' ' VAL . 14.9 mm100 -69.68 -38.88 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.959 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -38.87 87.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.083 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -54.24 -46.43 72.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.064 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -68.08 -41.21 82.25 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 25' ' ' GLN . 87.4 t -58.02 -48.38 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.657 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG11 HD12 ' A' ' 69' ' ' ILE . 59.8 t -69.17 -39.0 78.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.273 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.76 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.399 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.76 -28.28 68.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 111.373 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -69.66 -36.96 76.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -93.94 -6.47 45.42 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.36 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.28 40.01 50.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.012 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 28.2 m -124.86 153.43 70.74 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.567 0.222 . . . . 0.0 110.544 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 63.9 Cg_endo -76.52 130.43 11.77 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.317 2.011 . . . . 0.0 111.676 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.53 -3.85 39.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' CG ' HH21 ' A' ' 75' ' ' ARG . 27.3 t70 -58.37 -52.16 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.564 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 74' ' ' TRP . 13.4 mm100 -110.08 32.23 5.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.553 0.692 . . . . 0.0 110.182 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.7 tp -94.75 134.82 36.95 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.38 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -118.34 127.45 53.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.215 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.62 130.62 52.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.953 0.406 . . . . 0.0 111.081 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -119.85 104.93 16.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.331 0.586 . . . . 0.0 109.814 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.465 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 78.0 t80 -117.18 113.65 22.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.451 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.74 15.88 9.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.023 0.439 . . . . 0.0 111.289 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.17 -2.76 54.85 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.005 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 159.88 40.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.662 0.267 . . . . 0.0 111.378 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.57 162.53 23.11 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' HB2' HG21 ' A' ' 23' ' ' ILE . 91.8 mt -108.47 165.98 11.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.018 0.437 . . . . 0.0 111.388 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -83.12 114.63 21.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.315 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.4 p-10 -60.91 -14.18 20.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.68 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.89 -9.4 55.8 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 54' ' ' TRP . 8.2 t-105 -113.66 167.29 10.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.498 -0.881 . . . . 0.0 113.15 -175.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 68.2 p -76.33 152.3 36.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.893 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.31 -26.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.235 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.24 -49.88 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.501 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.21 -14.01 59.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.65 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.81 -11.24 59.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.929 0.395 . . . . 0.0 110.174 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.3 50.75 3.68 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 7.9 mp -80.6 -1.9 44.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.186 0.517 . . . . 0.0 111.034 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.88 -39.91 12.04 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.067 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -106.36 -29.86 9.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -88.52 84.0 6.79 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.813 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.22 151.59 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.27 134.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 116.836 -0.166 . . . . 0.0 110.646 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 10.0 m170 -117.63 114.35 23.26 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.406 HD12 HG11 ' A' ' 30' ' ' VAL . 39.9 mt -111.79 127.52 68.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.444 0.64 . . . . 0.0 111.383 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.7 137.48 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.771 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 7.2 tt0 -107.03 124.11 49.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.726 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 37.3 mmt180 -127.3 87.46 56.31 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.202 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.476 ' CB ' ' HB2' ' A' ' 76' ' ' LYS . 11.1 Cg_exo -72.15 80.64 1.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.771 2.314 . . . . 0.0 111.954 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.446 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . 5.7 m-90 -66.43 -6.81 15.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 HH21 ' CG ' ' A' ' 39' ' ' ASP . 26.7 ptt180 -137.58 29.08 2.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 111.987 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 73' ' ' PRO . 37.9 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.065 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.433 ' CG1' ' HG2' ' A' ' 16' ' ' GLU . 65.5 mt -96.54 122.24 47.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.471 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.67 137.15 51.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.39 129.94 34.84 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.885 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.8 t -131.95 137.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -115.4 133.45 56.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.925 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -102.22 151.48 22.17 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -54.12 -22.03 10.08 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m -121.58 30.53 6.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.984 0.421 . . . . 0.0 110.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -145.88 156.73 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -81.97 -37.32 26.84 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.84 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.87 134.07 2.07 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.55 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -139.63 143.36 34.96 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.666 0.269 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.1 122.98 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.621 2.214 . . . . 0.0 111.941 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.37 126.69 60.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.815 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG2' ' CG1' ' A' ' 2' ' ' ILE . 1.2 tm-20 -92.4 117.02 29.5 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -135.72 167.16 25.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.96 166.42 18.87 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.011 0.434 . . . . 0.0 110.872 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -74.78 -6.48 49.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.52 8.51 12.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.738 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -66.81 123.05 19.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.475 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.3 m -77.72 147.3 35.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 51' ' ' ARG . 50.6 mm -55.87 -35.39 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 43.9 t80 -60.12 -42.63 95.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.366 . . . . 0.0 110.267 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.556 ' O ' HG21 ' A' ' 29' ' ' VAL . 13.7 mm100 -69.51 -42.31 74.89 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.66 -41.98 78.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.891 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.12 -47.44 86.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.116 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.75 -36.67 85.06 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.534 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 25' ' ' GLN . 73.4 t -58.79 -50.41 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.99 -47.39 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.81 96.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -65.91 -37.49 86.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.089 0.471 . . . . 0.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -65.52 -32.75 74.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.144 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -98.42 -11.73 22.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.515 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 28.03 56.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.619 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.09 156.45 37.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 122.651 -0.323 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -68.3 121.1 8.04 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.754 2.303 . . . . 0.0 111.681 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.5 -18.48 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -80.22 -6.39 57.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.282 0.563 . . . . 0.0 110.27 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.67 11.89 18.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.307 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -106.43 141.29 37.99 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.085 -175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -122.03 131.82 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 m -101.69 114.14 40.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.285 0.564 . . . . 0.0 111.617 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.88 147.47 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.759 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -135.83 106.58 6.58 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.18 -62.46 0.36 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.963 0.789 . . . . 0.0 110.982 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.13 2.2 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -108.65 171.43 7.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.59 146.28 41.91 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -94.51 145.56 24.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.237 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -79.73 152.37 29.9 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 26.2 p-10 -72.56 -40.87 66.33 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -175.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.83 79.12 1.62 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.34 0.59 . . . . 0.0 110.63 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.1 t-105 -162.9 151.93 14.91 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.437 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -71.42 137.84 48.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.113 0.483 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 HD12 ' A' ' 61' ' ' LEU . 8.8 p -73.41 -26.62 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.625 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 29.9 tt0 -67.75 -33.89 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.05 0.452 . . . . 0.0 111.472 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.25 -7.28 59.39 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.102 0.477 . . . . 0.0 110.848 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.8 m -84.59 -12.9 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.14 35.01 21.18 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.013 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD12 HG23 ' A' ' 56' ' ' VAL . 35.1 mt -68.76 -10.59 57.47 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.86 -25.47 11.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.558 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -88.35 -52.47 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -73.48 -70.94 0.34 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -96.07 153.04 3.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 t -80.76 135.24 25.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.725 0.297 . . . . 0.0 110.411 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -111.9 108.4 17.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.031 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -105.51 125.5 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-O 121.117 0.484 . . . . 0.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.19 141.83 43.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -109.6 138.48 45.91 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -120.14 86.1 36.94 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.143 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 89.4 Cg_endo -94.79 150.79 1.79 Allowed 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 123.076 2.518 . . . . 0.0 112.804 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -109.84 -23.53 11.33 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.645 ' NE ' ' HA ' ' A' ' 75' ' ' ARG . 4.1 mmp_? -111.55 12.63 21.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 6.8 mmpt? . . . . . 0 C--N 1.31 -1.124 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.669 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.884 0.373 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -105.44 110.65 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.719 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.26 151.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.106 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -96.67 135.77 38.14 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.1 135.94 47.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.48 0.657 . . . . 0.0 111.895 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' HIS . 42.6 mtp85 -107.03 109.18 21.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.048 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.6 151.48 22.45 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -41.16 -47.77 3.31 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.35 0.66 . . . . 0.0 112.65 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -103.95 32.34 3.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.014 0.435 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -137.16 175.03 9.98 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 48.5 m-70 -100.44 -57.69 2.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 110.512 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.34 97.55 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -115.37 147.98 39.85 Favored Pre-proline 0 C--N 1.313 -1.014 0 CA-C-O 120.755 0.312 . . . . 0.0 111.378 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.79 134.79 6.46 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.3 t -115.59 129.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.981 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -90.63 113.05 25.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.07 0.462 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -128.34 174.74 11.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.205 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -87.06 166.33 15.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -71.74 -33.49 68.73 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.267 0.556 . . . . 0.0 110.348 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.48 4.35 51.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.501 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -61.61 123.17 17.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.504 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.627 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.1 m -80.08 151.27 29.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.013 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -56.52 -29.56 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.311 0.577 . . . . 0.0 110.156 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -52.91 -56.41 16.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.57 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' HG22 ' A' ' 29' ' ' VAL . 23.9 mm-40 -73.32 -37.27 66.21 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.303 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.75 -41.87 67.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 7.6 ttpm? -60.55 -43.95 96.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.366 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.36 -28.11 62.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.969 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 25' ' ' GLN . 95.3 t -65.85 -47.99 83.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.007 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.896 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.02 83.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.593 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HZ2' ' HB2' ' A' ' 32' ' ' LYS . 4.1 ttmp? -65.83 -45.02 83.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.526 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -64.48 -35.74 81.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.464 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -90.22 -23.83 21.15 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.938 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.54 44.48 8.55 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.778 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 34.7 m -129.51 150.27 75.16 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.414 0.15 . . . . 0.0 110.826 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -65.5 119.58 6.63 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.333 2.022 . . . . 0.0 111.467 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.47 63.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -63.92 -27.88 69.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.102 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.505 ' NE2' ' HB3' ' A' ' 74' ' ' TRP . 73.9 mt-30 -108.44 3.68 23.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.628 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.92 136.19 34.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.132 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -116.06 126.96 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.96 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -106.22 128.39 60.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.352 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.61 129.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.286 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -137.85 122.96 19.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.286 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.93 19.23 11.45 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.03 0.532 . . . . 0.0 111.748 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.74 -5.44 66.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.685 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -179.35 5.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.547 0.213 . . . . 0.0 111.035 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.0 164.03 12.1 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.862 0.363 . . . . 0.0 110.313 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt -114.41 155.41 26.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.993 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.01 134.35 53.68 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -70.27 -32.54 70.4 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -102.71 73.13 1.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.427 0.632 . . . . 0.0 111.495 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.627 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.4 t-105 -165.35 157.76 15.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.864 175.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.0 p -69.01 145.08 53.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.424 0.631 . . . . 0.0 112.249 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.06 -20.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.443 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -72.61 -29.17 63.26 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.39 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -36.36 23.87 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.4 -30.85 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 t70 62.48 92.0 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.009 0.924 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mp -109.4 17.97 20.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 175.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -48.58 4.74 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.875 -1.511 . . . . 0.0 111.469 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -117.5 -32.71 4.82 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.39 -57.99 10.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt -91.96 144.51 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 t -80.67 131.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-O 120.46 0.171 . . . . 0.0 110.725 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -108.57 114.6 28.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.1 mt -119.24 118.94 59.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-O 121.234 0.54 . . . . 0.0 111.352 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 m -111.27 141.27 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.395 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.542 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.7 tp60 -103.37 134.65 46.4 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -109.7 84.92 3.53 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 5.3 Cg_exo -75.04 101.22 1.44 Allowed 'Trans proline' 0 N--CA 1.443 -1.443 0 C-N-CA 122.579 2.186 . . . . 0.0 113.263 -174.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.505 ' HB3' ' NE2' ' A' ' 40' ' ' GLN . 43.8 t90 -93.48 -22.21 19.01 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 75' ' ' ARG . 3.6 ptp180 -152.26 88.35 1.37 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.658 175.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.006 -178.848 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 20.8 ttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' A' ' 16' ' ' GLU . 28.8 mt -125.56 131.72 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.678 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.34 157.99 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.429 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -97.22 139.13 33.66 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.239 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.522 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 14.5 p -135.36 135.15 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-O 121.303 0.573 . . . . 0.0 111.966 -176.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.437 ' HD2' ' CA ' ' A' ' 12' ' ' GLY . 13.0 mmm180 -106.84 101.15 10.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.019 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -87.34 147.6 25.41 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -52.34 125.24 15.43 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.313 0.383 . . . . 0.0 110.901 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m 70.69 16.8 6.73 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.6 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -128.18 -179.82 5.2 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -103.7 173.06 6.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -178.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . -85.65 83.7 1.61 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.309 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -91.49 147.25 34.91 Favored Pre-proline 0 C--N 1.312 -1.032 0 CA-C-O 120.683 0.278 . . . . 0.0 110.518 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.64 125.96 6.43 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.391 2.061 . . . . 0.0 111.958 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -107.62 129.29 61.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.346 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 2' ' ' ILE . 40.3 mt-10 -85.53 120.9 27.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.663 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.73 -179.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.477 -178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -91.74 171.71 8.97 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -178.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p -81.33 0.3 37.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.752 178.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -132.15 24.11 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.256 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 m -76.58 116.99 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.39 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 m -77.23 156.15 31.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.011 177.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 50' ' ' LEU . 41.6 mm -55.32 -38.79 49.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.889 0.376 . . . . 0.0 111.229 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.0 t80 -64.8 -36.06 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.726 179.095 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' HG21 ' A' ' 29' ' ' VAL . 51.6 mt-30 -68.96 -45.11 71.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.93 -39.01 80.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 109.665 177.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 88.3 tttt -58.56 -49.38 77.63 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.877 176.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.32 -46.75 87.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.364 179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 25' ' ' GLN . 90.8 t -55.0 -51.98 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.202 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.33 -35.85 72.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.797 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.0 62.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -68.99 -29.49 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.76 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -64.54 -39.26 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.187 0.518 . . . . 0.0 110.498 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -92.84 -6.72 48.18 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.287 -179.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.68 37.72 67.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.299 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.44 150.68 48.4 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.532 0.206 . . . . 0.0 110.727 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 31.3 Cg_endo -65.79 119.66 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.475 2.117 . . . . 0.0 111.476 178.133 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -66.43 -23.83 66.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.146 -178.211 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -68.4 -24.53 64.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.499 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 80.5 mm-40 -108.21 12.35 26.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.391 0.615 . . . . 0.0 110.306 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -97.75 144.33 27.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.085 -178.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -122.99 130.11 52.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.731 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.93 122.97 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.127 0.489 . . . . 0.0 111.368 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -118.52 130.41 73.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.399 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 68.7 t80 -128.99 114.27 16.21 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 5.61 3.42 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.404 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.45 7.11 Favored Glycine 0 C--O 1.227 -0.331 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.709 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -113.02 170.75 7.98 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.48 138.39 39.46 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' HG23 ' A' ' 23' ' ' ILE . 75.8 mt -85.53 170.34 12.71 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.141 0.496 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -90.0 155.97 18.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.776 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.4 p-10 -72.64 -39.23 67.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -90.48 65.23 6.06 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.358 0.599 . . . . 0.0 110.372 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 59' ' ' CYS . 26.1 t-105 -146.81 132.95 19.32 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.1 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -79.35 140.6 37.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.365 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.6 -24.89 15.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.525 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 24.3 tp60 -68.81 -42.9 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.132 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.51 -18.66 56.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.102 0.477 . . . . 0.0 110.896 -178.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 26.1 t -90.25 -37.42 14.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 64.17 94.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.686 0.794 . . . . 0.0 111.205 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 9.6 mp -103.31 26.55 8.21 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.82 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.64 -43.57 3.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.864 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -90.55 -41.97 11.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -89.74 93.16 9.34 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.6 tt -126.21 153.27 34.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 t -80.83 129.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -177.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -107.16 111.05 23.3 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.89 121.59 66.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-O 121.187 0.518 . . . . 0.0 110.601 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -128.92 145.87 35.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.84 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' OE1' ' HD2' ' A' ' 37' ' ' PRO . 7.7 tt0 -95.51 124.64 39.63 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.97 89.34 7.24 Favored Pre-proline 0 C--N 1.31 -1.147 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.472 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.499 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 94.9 Cg_endo -87.32 141.79 5.96 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 122.794 2.33 . . . . 0.0 112.978 -178.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -111.22 -50.85 2.9 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -93.9 80.89 4.16 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.821 176.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 C--O 1.247 0.967 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.346 -179.188 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.58 111.69 37.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.76 144.1 16.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.839 0.352 . . . . 0.0 110.314 178.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' HB2' HG13 ' A' ' 66' ' ' ILE . 44.9 m-85 -87.83 125.89 34.72 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.47 HG21 ' HB ' ' A' ' 67' ' ' VAL . 69.6 t -131.93 134.24 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.443 -176.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.42 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 99.4 mtt180 -107.96 100.71 10.03 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.103 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 9' ' ' SER . 50.9 t80 -85.99 108.79 18.38 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 -178.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' SER . 5.5 t30 -78.01 88.42 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.229 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 33.1 t 168.11 -34.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.504 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 t -124.27 -78.78 0.6 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.146 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -173.22 169.53 4.51 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 6' ' ' ARG . . . -85.25 128.67 8.85 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.499 178.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -140.56 150.01 59.07 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 116.64 0.22 . . . . 0.0 110.493 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 121.99 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.275 1.983 . . . . 0.0 111.141 177.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.6 t -94.47 119.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.135 0.493 . . . . 0.0 110.203 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -90.83 111.82 23.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.884 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.68 -177.49 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.6 162.21 14.27 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -64.56 -23.44 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.071 177.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -110.98 66.42 0.63 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.565 0.698 . . . . 0.0 109.954 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -116.75 114.24 23.71 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.94 178.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 37.2 m -69.65 149.68 47.83 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 178.578 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.19 -39.93 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.611 0.244 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.448 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 69.9 t80 -61.72 -47.61 84.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.968 0.413 . . . . 0.0 110.269 177.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.572 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.8 mm100 -63.67 -41.39 98.18 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.079 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.21 -47.14 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.514 178.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.37 -43.75 92.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.142 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.49 -36.48 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.02 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' GLN . 66.8 t -62.62 -50.39 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.397 178.099 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.18 -39.5 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.172 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.48 65.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HZ1' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -70.48 -34.43 72.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.605 -178.432 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -67.67 -30.02 69.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -103.78 -6.76 21.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.72 55.98 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.046 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.56 153.49 76.06 Favored Pre-proline 0 C--N 1.318 -0.789 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.19 117.35 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.242 1.962 . . . . 0.0 111.925 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.28 -37.83 88.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.745 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 73.3 mt-30 -102.79 19.39 19.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.483 0.659 . . . . 0.0 110.589 -178.071 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.7 tp -101.62 151.84 21.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.303 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -130.81 137.97 49.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.57 0.224 . . . . 0.0 110.534 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.54 129.18 75.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.174 0.511 . . . . 0.0 111.14 178.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -123.86 132.36 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.566 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 88.6 t80 -133.93 124.36 26.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.19 22.69 13.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.73 11.63 70.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -142.83 -178.45 5.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.55 138.36 48.18 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.88 166.76 12.89 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -73.16 142.92 47.43 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.373 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' PHE . 87.3 m-20 -74.32 -26.76 60.36 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 120.9 0.381 . . . . 0.0 111.455 -177.058 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -102.92 67.91 0.98 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.066 -175.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' ' 22' ' ' SER . 19.2 t-105 -161.82 151.88 16.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.405 177.127 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -73.73 142.53 46.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.309 0.576 . . . . 0.0 111.961 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.11 -25.37 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.955 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -59.15 -42.54 90.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.296 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.53 -1.54 58.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.061 0.458 . . . . 0.0 111.037 -177.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 72.7 m -95.78 -17.6 21.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.671 178.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 57.33 55.46 5.81 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 11.1 mp -76.75 -0.59 24.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.155 0.502 . . . . 0.0 111.455 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.98 -8.19 18.74 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.243 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -118.78 -56.84 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -80.2 103.63 10.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.049 -176.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 4' ' ' PHE . 21.0 tt -139.42 154.07 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' HB ' HG21 ' A' ' 5' ' ' VAL . 4.5 t -81.69 129.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 -177.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -106.88 108.68 20.31 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.38 129.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 -178.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -135.2 148.75 28.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.953 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' NE2' ' HG3' ' A' ' 73' ' ' PRO . 3.3 pt20 -111.1 157.61 19.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -147.07 76.15 11.43 Favored Pre-proline 0 C--N 1.313 -1.012 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 Cg_endo -89.28 123.34 1.31 Allowed 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 122.921 2.414 . . . . 0.0 112.941 -176.628 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -101.42 -31.4 10.94 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -99.35 9.04 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.006 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.797 179.096 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.591 0.234 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.1 mm -93.27 123.11 45.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.533 178.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 62' ' ' ASP . 29.6 m -115.06 157.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -101.84 132.34 47.67 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.78 141.28 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.059 0.457 . . . . 0.0 111.563 -177.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -115.52 119.36 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.149 176.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -100.51 113.88 27.03 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.589 0.233 . . . . 0.0 110.901 -178.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.66 48.55 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.295 178.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t 70.79 12.5 7.18 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.19 177.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 p -65.56 168.97 6.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.309 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -51.73 -68.47 0.17 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.245 0.34 . . . . 0.0 111.825 -177.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.4 131.77 1.56 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.363 -0.923 . . . . 0.0 111.885 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -130.1 145.85 59.01 Favored Pre-proline 0 C--N 1.309 -1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.1 114.85 2.26 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.752 2.301 . . . . 0.0 112.243 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -99.92 125.91 53.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -82.46 118.73 23.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 179.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.71 170.0 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.92 170.08 8.07 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 p -67.22 -18.52 65.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.68 24.95 11.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.467 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 m -87.33 115.3 24.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.128 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -79.61 167.12 21.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.36 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.45 -51.59 69.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.484 175.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.2 mm100 -66.87 -45.08 79.24 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.69 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 tp -56.12 -43.18 77.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -58.55 -46.01 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.036 178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.425 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 75.1 t -59.43 -53.53 46.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.689 179.028 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.62 -38.29 81.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.885 0.374 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.13 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.622 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.9 -29.89 67.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 -178.031 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 30.3 mtp-105 -65.44 -44.42 87.37 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.941 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.37 -34.31 28.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.219 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.8 41.82 4.3 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.53 156.24 55.9 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.638 -0.281 . . . . 0.0 110.423 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.65 119.32 6.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.641 2.227 . . . . 0.0 111.617 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.82 -21.74 56.99 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.99 -51.11 35.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.566 0.222 . . . . 0.0 111.413 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -89.22 22.02 3.01 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.849 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.0 tp -93.18 138.58 31.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.254 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -119.88 125.58 48.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.05 0.452 . . . . 0.0 111.867 -177.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -97.38 133.16 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.59 176.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -130.68 136.68 57.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.218 0.532 . . . . 0.0 111.094 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -140.66 113.52 8.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.18 177.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 22.88 12.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.924 0.49 . . . . 0.0 111.75 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 -16.96 53.8 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.624 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 158.85 26.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 117.143 0.472 . . . . 0.0 111.254 -178.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 147.49 23.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 178.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.5 mt -91.44 150.22 21.34 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.86 133.39 54.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.305 177.592 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -64.32 -40.86 96.75 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.079 -177.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.11 70.37 7.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.645 0.736 . . . . 0.0 110.736 -177.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -164.0 135.33 4.59 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.352 177.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.61 139.93 58.47 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.331 0.586 . . . . 0.0 112.362 -178.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.38 -19.97 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.278 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -35.65 78.92 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.286 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.04 -2.13 57.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 110.046 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.54 -31.86 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.717 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.35 42.44 9.14 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.771 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.51 1.4 2.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.945 -179.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' HB3' HG11 ' A' ' 3' ' ' VAL . 7.1 p-10 -101.58 -29.8 11.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 178.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.65 -13.83 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.376 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -94.56 -154.75 0.43 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 tt -90.41 144.34 9.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -81.39 130.54 35.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -103.34 128.94 50.29 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.76 129.08 66.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.67 139.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.034 0.445 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.532 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 2.7 pt20 -103.65 158.83 16.11 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.03 179.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -96.88 99.75 6.31 Favored Pre-proline 0 C--N 1.311 -1.067 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 173.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 2.7 Cg_exo -75.63 102.39 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 122.583 2.189 . . . . 0.0 112.951 -176.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.84 94.13 6.39 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.924 176.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 56.83 38.71 29.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.373 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.573 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.47 124.95 46.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.46 149.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 120.697 0.284 . . . . 0.0 110.512 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -92.16 130.69 37.82 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.03 134.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.158 0.504 . . . . 0.0 111.688 -177.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' NH2' ' HA ' ' A' ' 10' ' ' SER . 56.4 mtp180 -106.55 144.14 33.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.843 177.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -133.44 109.82 9.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.57 -60.71 0.38 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.942 0.776 . . . . 0.0 113.083 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -82.86 177.61 8.57 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.21 0.528 . . . . 0.0 111.503 -178.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.517 ' HA ' ' NH2' ' A' ' 6' ' ' ARG . 14.5 m -78.9 -18.13 54.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.741 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.11 138.07 56.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 178.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.09 126.81 6.72 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.654 179.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.2 p90 -104.36 151.94 39.2 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 5.1 Cg_endo -87.24 126.27 2.31 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.745 2.297 . . . . 0.0 112.534 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.1 119.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.085 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -82.81 121.34 26.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.449 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.4 172.05 13.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.732 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -92.38 175.43 6.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.099 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 p -67.62 -36.04 80.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 111.321 -178.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -111.81 23.68 13.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -67.65 114.67 6.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -65.77 147.79 52.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.7 mm -56.62 -36.02 47.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 76.3 t80 -60.1 -42.98 95.85 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.026 0.441 . . . . 0.0 110.028 177.632 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.8 mm-40 -61.74 -47.07 86.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.298 179.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.583 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.57 -46.19 87.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.898 177.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.8 mm-40 -63.34 -41.19 98.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.216 178.138 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 25' ' ' GLN . 62.6 t -57.36 -49.63 79.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.166 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.579 178.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.52 -40.97 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.04 -55.14 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.505 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 18.8 ptpt -68.24 -29.52 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.187 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -71.51 -26.84 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.009 0.433 . . . . 0.0 110.863 -178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -107.68 3.65 24.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -178.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.08 47.67 63.75 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.55 177.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.47 151.36 77.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.938 0.369 . . . . 0.0 110.883 178.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.86 119.12 5.72 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.562 2.175 . . . . 0.0 111.814 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.5 -24.01 67.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.574 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.42 -23.66 67.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.888 0.375 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -118.31 23.82 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.295 0.569 . . . . 0.0 110.174 -179.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -102.59 139.17 38.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.88 -178.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.563 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 11.8 tpp180 -111.8 131.13 55.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -179.716 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.35 106.72 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.514 0.673 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.43 101.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-O 121.282 0.563 . . . . 0.0 110.788 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -90.79 111.39 22.75 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.12 -63.36 0.37 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.979 0.8 . . . . 0.0 110.84 -176.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.15 12.92 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.298 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.78 166.64 32.9 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.158 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.563 ' OE1' ' HD3' ' A' ' 42' ' ' ARG . 4.2 mm-40 -74.15 156.86 36.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.139 177.078 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' HG23 ' A' ' 23' ' ' ILE . 59.8 mt -108.53 163.69 13.01 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.368 0.604 . . . . 0.0 111.208 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.502 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -74.04 108.13 6.66 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.629 176.421 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 49.6 m-80 -64.19 -28.13 69.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.18 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.28 -17.67 38.9 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.479 ' HB3' ' HG2' ' A' ' 51' ' ' ARG . 9.4 t-105 -99.12 172.92 7.07 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.286 -0.566 . . . . 0.0 111.483 -176.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -76.55 153.58 35.28 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.657 0.741 . . . . 0.0 112.976 -174.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.52 -30.36 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.468 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.54 -38.93 92.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 -178.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.99 -21.22 63.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 0.0 110.952 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.5 m -81.0 -22.51 39.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 21.1 m-20 64.52 61.04 0.87 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.58 -23.23 53.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 178.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.21 -30.57 23.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' A' ' 60' ' ' ASP . 33.2 tt0 -85.05 -48.53 9.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.484 -179.338 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -85.78 -152.66 0.17 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.662 0.268 . . . . 0.0 111.471 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -95.8 157.25 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.704 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.16 127.32 40.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.523 0.201 . . . . 0.0 110.591 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.84 106.89 18.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -108.57 130.57 61.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.243 0.544 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.83 150.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.088 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -102.23 148.84 24.95 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.97 -178.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -134.99 87.36 29.77 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 76' ' ' LYS . 91.4 Cg_endo -83.91 139.35 8.5 Favored 'Trans proline' 0 N--CA 1.442 -1.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.296 -178.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -122.2 120.87 35.44 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 70.8 17.12 6.53 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.389 0.676 . . . . 0.0 111.161 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 73' ' ' PRO . 25.6 tptp . . . . . 0 N--CA 1.431 -1.39 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.446 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 120.76 0.314 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.4 mt -104.08 117.23 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.71 165.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.34 140.92 42.4 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.622 0.248 . . . . 0.0 110.451 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -138.36 143.05 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.332 0.587 . . . . 0.0 111.877 -177.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -115.28 111.98 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 49.2 t80 -93.73 140.18 29.95 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.637 178.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.03 -50.85 26.44 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -94.51 29.49 2.25 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.553 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 4.3 t -153.12 -167.94 2.87 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -113.02 -172.44 2.06 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.23 120.71 5.34 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.167 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -135.83 151.28 73.77 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-O 120.525 0.202 . . . . 0.0 110.667 178.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.05 144.63 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.531 2.154 . . . . 0.0 112.439 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.27 118.8 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.939 177.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.94 127.25 33.35 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.957 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.39 166.66 11.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.959 -177.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -103.19 -177.72 3.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.583 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.462 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 25.1 m -77.1 -13.09 60.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.424 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.68 19.13 12.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.572 -178.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -81.57 100.67 9.52 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.884 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -68.58 150.68 47.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.553 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.9 mm -57.29 -34.54 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.105 0.479 . . . . 0.0 110.533 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -61.3 -42.95 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' HG22 ' A' ' 29' ' ' VAL . 54.1 mt-30 -68.44 -44.12 75.61 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.901 178.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.01 -42.72 76.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.178 0.513 . . . . 0.0 110.103 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.05 -44.3 87.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.981 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.52 -32.4 68.15 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.395 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 25' ' ' GLN . 68.9 t -62.7 -47.69 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.432 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.25 -41.41 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.143 178.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.45 99.62 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.167 0.508 . . . . 0.0 110.709 178.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HB2' ' HZ1' ' A' ' 32' ' ' LYS . 4.9 ttmp? -64.26 -41.54 96.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 178.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -66.91 -31.3 71.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.947 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -96.76 -10.53 26.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.762 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.72 48.11 51.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.18 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.45 155.69 80.68 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 111.88 1.09 Allowed 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.604 2.203 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.896 -177.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.84 -31.06 70.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -96.08 8.91 42.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 tp -96.28 141.84 29.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.058 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -127.61 149.17 50.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.668 0.271 . . . . 0.0 110.692 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.61 142.08 23.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.834 0.349 . . . . 0.0 111.29 179.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -130.87 119.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -138.03 124.16 20.35 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.7 20.35 11.52 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 -179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.96 66.48 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.895 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 164.73 29.62 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.557 -0.378 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.89 154.09 20.13 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HB2' HG23 ' A' ' 23' ' ' ILE . 75.9 mt -86.16 -177.36 6.25 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.815 -176.464 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -81.69 -14.11 56.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.091 -177.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.553 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 79.4 m-20 67.74 -60.3 0.4 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 175.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -66.58 -35.04 79.24 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 58' ' ' ASN . 1.2 t90 -77.66 164.41 25.33 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.733 -174.521 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 t -74.95 152.7 38.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 112.227 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.68 -16.43 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.669 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.2 tp-100 -63.16 -37.53 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 111.079 -177.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 2.9 t30 -90.55 8.74 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.542 0.687 . . . . 0.0 109.914 179.598 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.3 94.99 4.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.7 95.42 0.11 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.926 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.9 mp -110.33 0.37 17.97 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.867 175.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -86.89 -42.48 13.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.932 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -104.81 27.03 8.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.906 0.384 . . . . 0.0 111.257 -179.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -127.86 -159.65 0.96 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt -91.56 143.48 11.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 120.811 0.338 . . . . 0.0 110.098 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.44 131.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.001 -177.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -105.39 135.75 46.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.4 mt -128.65 122.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-O 121.082 0.468 . . . . 0.0 111.197 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -118.35 144.29 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -101.17 138.36 38.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -118.25 95.82 48.97 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.986 0.422 . . . . 0.0 110.838 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -90.27 174.3 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.083 2.522 . . . . 0.0 112.128 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -81.01 77.32 7.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.94 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 54.95 83.48 0.08 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.471 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.824 -0.607 . . . . 0.0 110.496 178.639 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.19 121.52 54.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 62' ' ' ASP . 35.0 m -102.99 148.9 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -93.02 127.94 38.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.27 136.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.235 0.54 . . . . 0.0 111.92 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 94.0 mtt180 -113.91 114.12 25.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.722 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -89.0 143.1 27.09 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.097 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.74 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -99.8 151.56 37.52 Favored Pre-proline 0 C--N 1.315 -0.911 0 CA-C-O 120.679 0.275 . . . . 0.0 111.195 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.34 126.85 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.813 2.342 . . . . 0.0 112.429 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -115.57 122.77 70.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.76 121.49 26.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 26' ' ' LEU . 33.0 m -132.95 159.05 43.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.42 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.1 162.6 16.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.1 m -66.68 -28.14 68.22 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.309 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.76 4.27 54.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.735 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 m -67.79 114.34 6.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.0 m -69.87 151.22 45.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 50' ' ' LEU . 50.2 mm -55.01 -44.32 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.459 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 31.5 t80 -65.1 -39.49 93.2 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.283 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.8 mt-30 -61.49 -42.13 98.32 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.161 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 17' ' ' VAL . 35.5 tp -64.11 -39.72 94.64 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.227 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -57.1 -45.79 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -31.16 71.78 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.19 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 25' ' ' GLN . 53.3 t -65.92 -49.96 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.205 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.48 -39.13 84.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.795 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -61.62 -38.19 86.72 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.394 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -68.83 -48.29 63.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.658 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -57.2 -48.57 78.45 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.439 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -101.51 6.08 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 54.52 37.11 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.245 -0.503 . . . . 0.0 113.278 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' ALA . 35.7 m -118.74 151.91 50.69 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.98 113.69 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.818 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -28.54 69.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.572 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -67.61 -22.01 65.37 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.051 0.453 . . . . 0.0 110.715 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -113.59 13.27 18.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.023 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -93.18 129.46 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.752 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -115.73 122.25 44.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.505 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.5 m -109.19 135.18 48.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -122.1 126.21 74.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.274 0.559 . . . . 0.0 111.653 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CD2' HD21 ' A' ' 50' ' ' LEU . 63.9 t80 -134.91 118.64 17.13 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.639 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.42 7.24 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.409 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.39 -28.12 10.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.854 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 170.42 8.28 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 122.659 -0.318 . . . . 0.0 111.365 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -92.78 141.26 28.64 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.54 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -80.49 159.21 25.63 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -56.95 137.19 55.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.801 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.8 p-10 -71.39 -21.12 62.05 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.58 84.88 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' O ' ' HA ' ' A' ' 22' ' ' SER . 25.0 t-105 -171.85 161.08 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.083 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 19' ' ' SER . 63.0 p -67.53 140.43 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.519 0.512 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 61' ' ' LEU . 11.2 p -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.977 0.417 . . . . 0.0 110.447 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.93 -50.42 66.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.2 -1.28 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.551 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -96.7 -8.78 30.56 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.186 -0.321 . . . . 0.0 111.199 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 21.5 m-20 66.37 35.68 5.62 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 175.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 8.0 mp -68.3 -14.98 63.38 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 120.444 -0.502 . . . . 0.0 112.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -99.31 -22.7 15.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.055 0.455 . . . . 0.0 110.348 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -95.34 -47.66 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.569 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 84.3 mm-40 . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.5 tt . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -81.54 137.69 20.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.429 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -109.15 133.34 53.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -132.29 125.18 53.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 121.115 0.483 . . . . 0.0 110.98 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.33 141.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.247 179.052 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.7 ttt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.73 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.8 0.334 . . . . 0.0 110.409 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -111.81 153.13 13.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 66' ' ' ILE . 58.3 m-85 -92.01 134.83 34.45 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.144 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG23 ' HB ' ' A' ' 67' ' ' VAL . 7.3 p -140.14 147.11 23.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.567 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -113.67 151.32 31.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 55.6 t80 -134.28 147.13 50.57 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 27.6 t-20 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 123.002 0.521 . . . . 0.0 112.319 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -139.45 153.4 70.66 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-O 120.576 0.227 . . . . 0.0 110.648 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -88.75 138.73 3.72 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 122.37 2.047 . . . . 0.0 111.934 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.527 HG12 HG13 ' A' ' 17' ' ' VAL . 82.1 t -114.46 123.85 70.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.285 0.564 . . . . 0.0 110.411 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.5 102.13 11.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.405 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG13 HG12 ' A' ' 15' ' ' VAL . 18.5 m -116.32 -174.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -104.44 160.66 14.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.628 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -67.1 -11.17 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -114.46 16.36 17.73 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.592 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -76.5 118.99 19.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.821 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' HG3' ' A' ' 25' ' ' GLN . 73.4 p -81.17 163.71 22.88 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.528 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -60.93 -31.14 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.974 0.416 . . . . 0.0 109.917 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 63.9 t80 -62.48 -49.03 77.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.966 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.4 mt-30 -67.88 -43.54 79.13 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.223 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG11 ' A' ' 17' ' ' VAL . 60.4 tp -56.46 -40.34 74.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.4 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' HB1' ' A' ' 38' ' ' ALA . 33.2 ttpt -58.22 -48.97 78.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.754 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.71 -37.93 89.26 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.587 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -57.52 -51.7 66.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.933 0.397 . . . . 0.0 110.419 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.31 -40.19 86.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -61.67 -47.28 86.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.41 -37.89 88.31 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.162 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.13 -33.84 76.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.01 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -93.66 -16.65 24.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.446 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.51 41.01 10.3 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.118 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 m -129.2 157.54 75.75 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.92 -0.165 . . . . 0.0 110.774 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.43 120.41 7.54 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.349 2.032 . . . . 0.0 111.079 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -68.44 -17.92 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.001 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -76.87 -26.5 54.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.058 0.456 . . . . 0.0 110.398 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -95.43 19.3 11.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 31' ' ' ALA . 17.4 tp -105.93 137.0 44.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.001 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -119.46 121.2 38.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.16 131.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.93 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -127.24 135.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.967 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -147.95 128.93 14.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.169 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 23.96 8.47 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.409 0.443 . . . . 0.0 111.969 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 1.75 78.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.318 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -125.99 177.29 6.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.145 0.473 . . . . 0.0 111.043 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -109.05 121.61 45.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.745 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.21 159.3 23.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.59 25.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.042 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.0 p-10 -64.58 -40.58 95.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.121 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.69 71.58 4.22 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.99 0.9 . . . . 0.0 110.82 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -155.69 138.76 15.5 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.202 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 58' ' ' ASN . 3.2 t -78.52 143.2 36.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.114 0.483 . . . . 0.0 111.551 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.671 HG23 HD23 ' A' ' 61' ' ' LEU . 13.5 p -68.9 -23.12 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 57.1 tt0 -65.94 -57.03 8.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.739 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.402 ' H ' HG23 ' A' ' 55' ' ' THR . 17.2 m120 -77.58 0.07 24.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.794 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 10.6 t -96.76 -12.47 23.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 52.99 47.74 23.98 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.671 HD23 HG23 ' A' ' 56' ' ' VAL . 2.9 mm? -75.06 1.52 12.88 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.655 0.741 . . . . 0.0 109.85 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -75.79 -33.47 60.15 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.471 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -124.88 -38.05 2.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.037 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -177.605 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.1 tt . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' HB ' HG23 ' A' ' 5' ' ' VAL . 26.3 t -81.39 130.52 35.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.728 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -100.92 108.29 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 30.7 mt -111.3 119.16 59.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 121.14 0.495 . . . . 0.0 111.143 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 27.5 m -119.86 147.78 23.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.282 -179.76 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.1 ttt . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.95 111.03 34.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 120.815 0.341 . . . . 0.0 110.67 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.72 168.95 2.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.823 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 66' ' ' ILE . 83.8 m-85 -117.76 135.49 54.01 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' ' HA3' ' A' ' 12' ' ' GLY . 34.5 m -133.0 148.93 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 112.024 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HE ' HG21 ' A' ' 66' ' ' ILE . 93.5 mtt180 -110.17 155.13 22.38 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -135.31 105.84 6.45 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.092 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.679 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.438 -1.192 0 CA-C-O 120.797 0.109 . . . . 0.0 113.184 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -139.44 154.0 71.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-O 120.517 0.199 . . . . 0.0 110.872 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.27 145.62 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.623 2.215 . . . . 0.0 112.021 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.22 122.03 63.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.97 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -93.14 113.53 25.79 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 HD13 ' A' ' 26' ' ' LEU . 23.9 m -127.69 176.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -85.45 168.67 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.276 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.04 -21.39 62.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.071 0.462 . . . . 0.0 111.148 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -109.69 35.5 3.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.004 0.431 . . . . 0.0 110.952 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -85.4 129.26 34.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.655 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 t -83.65 153.88 24.01 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.92 -39.07 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 120.836 0.35 . . . . 0.0 110.47 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.77 -43.95 97.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 97.8 mt-30 -63.99 -47.84 78.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 17' ' ' VAL . 53.5 tp -57.04 -43.32 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.37 -46.9 85.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.16 -35.86 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.385 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.6 t -60.45 -45.7 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.214 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.31 -46.85 94.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.209 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -59.77 -45.08 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.011 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -63.99 -42.16 97.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.952 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.81 -49.97 72.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.742 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.07 -10.88 56.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.93 51.57 6.22 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.439 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 32.5 m -131.96 157.27 78.67 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -80.21 126.94 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.612 2.208 . . . . 0.0 111.719 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.14 47.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.22 -55.1 37.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.137 0.494 . . . . 0.0 111.293 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -99.69 5.17 45.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.456 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.91 130.96 39.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.567 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -121.62 132.03 54.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.694 0.283 . . . . 0.0 110.681 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.18 127.7 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.826 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.11 126.18 73.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.742 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.635 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 43.5 t80 -119.62 108.5 14.55 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.674 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 65.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.101 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.17 -10.28 35.55 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -152.2 156.87 40.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.976 0.888 . . . . 0.0 112.267 -178.499 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.82 168.63 17.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.102 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD13 ' SG ' ' A' ' 59' ' ' CYS . 24.4 mt -119.98 161.52 20.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.23 150.42 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.176 174.317 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -86.53 -24.37 25.53 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.71 70.74 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.685 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -164.43 156.9 16.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.189 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -68.86 143.9 54.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 112.961 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG23 HD22 ' A' ' 61' ' ' LEU . 10.9 p -80.79 -27.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.963 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 19.5 tm0? -63.78 -44.48 93.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.652 -176.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.65 -0.6 43.3 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.7 t -98.27 -14.37 20.3 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.986 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.79 39.64 4.63 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -65.77 -18.12 65.1 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.01 -0.96 49.89 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.036 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -101.41 -53.1 3.08 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 85.2 mm-40 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 120.906 0.384 . . . . 0.0 111.465 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.448 HG21 ' HE ' ' A' ' 6' ' ' ARG . 21.4 tt . . . . . 0 N--CA 1.433 -1.301 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG21 HD23 ' A' ' 61' ' ' LEU . 20.1 t -84.09 133.96 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.601 0.239 . . . . 0.0 110.385 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -98.64 108.74 21.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.893 0.378 . . . . 0.0 110.366 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 49.2 mt -107.51 131.64 57.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.78 136.04 61.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.127 0.489 . . . . 0.0 110.974 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 C--N 1.31 -1.124 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.297 179.635 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.944 0.402 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 68.3 mt -126.84 114.71 38.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.864 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -93.82 145.88 7.29 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 120.983 0.42 . . . . 0.0 110.948 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 67' ' ' VAL . 19.2 m-85 -93.98 127.31 39.69 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.519 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.93 140.22 39.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.102 0.477 . . . . 0.0 112.275 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HG2' ' HA2' ' A' ' 12' ' ' GLY . 16.2 mtm180 -115.22 136.46 53.08 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.534 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -100.34 146.36 27.05 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 11.1 t30 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.44 -1.067 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -138.8 146.24 49.32 Favored Pre-proline 0 C--N 1.312 -1.052 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -81.95 132.19 7.31 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.537 2.158 . . . . 0.0 112.426 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.231 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 37.4 tt0 -78.93 132.63 36.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -129.13 -179.18 2.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.34 166.88 10.62 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 p -72.91 -2.72 21.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.881 0.372 . . . . 0.0 111.67 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -120.6 14.25 11.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.943 0.402 . . . . 0.0 110.758 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -78.7 117.43 19.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.145 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.6 m -80.92 152.58 28.0 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.1 mm -59.93 -29.78 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.024 0.44 . . . . 0.0 110.291 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.74 -44.38 97.02 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.778 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 79.9 mm-40 -71.84 -38.36 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.543 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.38 -39.68 84.09 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -59.32 -51.16 71.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.477 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 26.6 mt-10 -56.55 -50.63 71.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.739 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.0 t -51.89 -52.49 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.382 0.426 . . . . 0.0 111.458 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.58 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -58.19 -55.59 33.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.018 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 17.1 ptpt -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -65.5 -46.71 78.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 110.584 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -79.02 -30.7 44.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.238 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.22 34.09 4.65 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.05 164.98 15.87 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.64 112.9 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.62 2.213 . . . . 0.0 112.2 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.71 64.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.14 -36.85 83.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -114.87 23.8 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.265 0.555 . . . . 0.0 110.887 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 31' ' ' ALA . 24.8 tp -96.14 137.05 35.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.63 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -119.59 136.1 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.4 m -106.06 132.0 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.282 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -128.41 132.25 68.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.83 128.24 20.03 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.27 17.06 9.95 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.978 0.511 . . . . 0.0 111.41 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 8.49 67.17 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.793 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.66 170.71 15.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 111.329 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.32 150.17 21.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.119 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 23' ' ' ILE . 80.9 mt -102.08 146.73 27.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.004 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -61.51 121.42 12.67 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.041 176.046 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.574 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p30 -77.98 -31.66 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -85.5 -9.22 57.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' ' 22' ' ' SER . 2.0 t90 -99.59 171.89 7.64 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.692 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -80.91 140.07 35.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.35 0.595 . . . . 0.0 112.598 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.03 -16.65 15.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.675 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -59.8 -43.89 94.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.32 -19.42 36.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.3 m -72.97 -36.98 67.21 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 60.34 91.01 0.06 Allowed 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.951 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 67' ' ' VAL . 73.8 mt -113.81 12.65 18.29 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -93.43 -46.24 7.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.779 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -101.14 -17.21 16.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 120.784 0.326 . . . . 0.0 111.182 -178.591 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 4' ' ' PHE . 11.8 tt . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 61' ' ' LEU . 3.9 t -84.88 139.84 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -109.73 124.99 52.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -118.41 118.98 59.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 120.998 0.428 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -117.14 146.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.078 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.665 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 22.8 ptt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -116.01 121.79 68.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.649 0.261 . . . . 0.0 110.395 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -114.83 156.35 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.258 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.91 138.92 32.03 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.2 p -137.89 135.71 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.024 0.44 . . . . 0.0 111.256 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 66' ' ' ILE . 30.5 mtp180 -105.58 121.65 44.41 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.675 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -95.96 150.57 20.31 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.155 178.82 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -114.65 148.21 39.83 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.7 127.52 10.28 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.707 2.271 . . . . 0.0 112.91 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 HH11 ' A' ' 33' ' ' ARG . 69.9 t -120.24 118.79 57.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.176 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.48 126.46 31.69 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.773 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 26' ' ' LEU . 30.0 m -128.26 178.76 4.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -107.26 175.23 5.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 p -67.26 -32.89 74.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.31 0.576 . . . . 0.0 110.507 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.34 11.71 38.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.521 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.2 m -68.19 101.59 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 1.8 m -64.06 150.32 45.65 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.0 mm -56.58 -33.66 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.094 0.473 . . . . 0.0 110.108 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.88 -49.25 78.47 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.784 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.0 mt-30 -68.05 -39.98 82.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.868 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HG11 ' A' ' 17' ' ' VAL . 51.3 tp -54.96 -43.42 73.44 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HZ3' ' HB3' ' A' ' 27' ' ' LYS . 5.7 ttpm? -53.5 -44.96 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.115 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.45 -27.68 59.01 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.866 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.8 t -66.74 -41.04 87.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.484 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.28 -36.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.014 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.24 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.415 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -66.0 -32.62 74.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.734 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.512 HH11 HG22 ' A' ' 15' ' ' VAL . 58.5 ttt180 -66.57 -37.47 85.02 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.361 0.6 . . . . 0.0 110.379 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -93.34 -6.47 47.25 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.33 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.15 38.51 96.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.126 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.35 156.72 44.03 Favored Pre-proline 0 C--N 1.316 -0.85 0 O-C-N 122.904 -0.174 . . . . 0.0 110.872 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.17 109.75 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.514 2.142 . . . . 0.0 111.737 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.11 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.368 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.64 -36.07 81.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.28 21.55 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -100.5 140.01 35.37 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -128.74 129.54 45.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.454 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.16 132.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -134.41 127.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.272 0.558 . . . . 0.0 110.969 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 50' ' ' LEU . 86.3 t80 -148.88 141.77 24.71 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 11.32 7.44 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.405 0.441 . . . . 0.0 110.653 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.84 64.04 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.142 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.39 -173.93 3.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.371 0.585 . . . . 0.0 111.739 -178.326 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -79.18 142.0 36.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.198 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 45' ' ' PHE . 85.5 mt -82.95 -166.49 1.35 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.633 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -97.53 96.01 8.02 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.52 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 24.3 m-80 -57.5 -32.44 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.69 4.71 50.72 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' SER . 13.2 t-105 -116.35 168.65 9.95 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.419 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -75.03 156.26 36.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.225 0.536 . . . . 0.0 112.017 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.69 HG23 HD12 ' A' ' 61' ' ' LEU . 12.3 p -80.23 -30.61 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 48.9 tt0 -70.62 -43.39 69.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.148 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.35 -1.81 46.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.064 0.459 . . . . 0.0 110.629 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.22 -1.29 57.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.23 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 14.9 m-20 68.97 11.57 8.38 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.909 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 HG23 ' A' ' 56' ' ' VAL . 61.5 mt -65.79 -16.86 64.19 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.959 0.409 . . . . 0.0 112.086 -177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 25.2 t70 -84.17 -28.45 27.37 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -101.49 -22.78 14.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.082 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 64.6 mm-40 . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 120.799 0.333 . . . . 0.0 111.591 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 61' ' ' LEU . 7.5 t -82.3 139.52 17.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.241 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -115.82 139.93 49.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.96 0.41 . . . . 0.0 110.529 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.4 124.58 41.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.456 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 148.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.308 -1.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.986 179.727 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 63.3 ttp . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.95 121.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 120.777 0.322 . . . . 0.0 110.758 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.3 135.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.79 143.08 32.03 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.54 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 12.1 p -141.09 140.17 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-O 121.147 0.498 . . . . 0.0 111.704 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -102.02 103.91 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 61.3 t80 -91.25 142.73 27.4 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.435 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.8 t30 . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.443 -0.844 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -92.87 152.37 41.53 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.643 0.259 . . . . 0.0 110.875 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -86.92 128.18 2.74 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.487 2.124 . . . . 0.0 112.988 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -110.8 119.5 59.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.965 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.1 119.26 23.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -123.09 165.8 18.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.38 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -94.56 160.93 14.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 49.7 m -68.33 -16.67 64.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.781 0.324 . . . . 0.0 111.599 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.94 13.94 24.44 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.571 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -71.38 108.86 5.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -63.9 152.54 39.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.932 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 54' ' ' TRP . 49.1 mm -62.24 -32.75 55.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 109.943 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.6 t80 -68.38 -40.18 81.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.4 mm-40 -69.06 -37.91 78.77 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.79 -38.36 78.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.896 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -58.75 -46.93 86.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.126 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.698 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 25' ' ' GLN . 98.9 t -57.42 -52.84 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 69' ' ' ILE . 59.3 t -65.62 -40.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.486 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -63.55 -37.99 89.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -67.85 -47.72 68.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -62.37 -48.6 79.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.336 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -80.58 -33.04 36.34 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.524 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.78 44.46 4.51 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.53 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.43 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 28.6 m -125.82 157.1 70.1 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.63 119.31 6.32 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 111.387 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.85 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.52 -19.89 24.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 53.7 tp -61.14 131.4 50.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.545 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -106.43 133.08 51.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.319 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.73 130.66 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 111.074 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -129.45 135.28 61.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -138.75 126.57 22.25 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.251 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.82 18.29 9.6 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.11 0.564 . . . . 0.0 111.658 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.47 -0.05 65.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.852 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -126.61 176.11 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.289 . . . . 0.0 110.717 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -113.46 131.39 56.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.41 172.13 14.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.163 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.598 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -98.28 136.18 38.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.251 178.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.0 p30 -62.14 -26.16 68.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.46 10.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.496 ' O ' HG12 ' A' ' 23' ' ' ILE . 17.2 t-105 -109.61 161.32 15.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.49 0.186 . . . . 0.0 110.604 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 2.9 t -95.01 150.95 19.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.797 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 HD22 ' A' ' 61' ' ' LEU . 14.6 p -71.76 -28.02 29.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.735 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.6 tp-100 -71.35 -48.7 48.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -80.68 -2.55 47.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 9.2 t -94.31 -24.71 17.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.53 80.61 0.23 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.343 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.4 HD22 HG23 ' A' ' 56' ' ' VAL . 10.7 mp -102.29 -6.06 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 10.4 t0 -70.7 -44.95 65.91 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -112.12 -176.45 2.93 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.792 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 N--CA 1.472 0.632 0 O-C-N 123.57 0.543 . . . . 0.0 111.588 178.29 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 t -81.48 138.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.76 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -114.27 122.14 45.83 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 37.7 mt -122.93 118.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.109 0.48 . . . . 0.0 110.26 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 62.4 t -109.5 133.35 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.082 -177.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 50.0 tp60 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.893 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.659 0.266 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 59.6 mt -105.25 129.1 58.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.95 146.6 26.82 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.274 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' C ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -81.42 133.67 35.44 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG22 ' HB ' ' A' ' 67' ' ' VAL . 88.5 t -131.94 130.91 61.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.692 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.452 ' HE ' HD13 ' A' ' 66' ' ' ILE . 12.6 ptp180 -109.7 121.47 45.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.026 0.441 . . . . 0.0 110.289 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -96.62 126.88 42.1 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.469 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.363 0.601 . . . . 0.0 110.299 178.303 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.843 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -123.51 150.36 60.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-O 120.601 0.239 . . . . 0.0 110.949 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.3 129.7 7.76 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.473 2.115 . . . . 0.0 112.085 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.78 122.46 68.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.291 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.75 118.66 29.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.113 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.1 158.78 20.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.005 0.431 . . . . 0.0 111.434 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.66 163.09 13.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 p -61.63 -22.85 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.423 . . . . 0.0 111.16 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.94 18.33 17.34 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.2 m -75.01 111.06 9.84 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -72.4 150.27 43.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.76 -34.02 42.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.997 0.427 . . . . 0.0 110.482 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.74 -46.93 86.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.122 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.8 mm-40 -67.79 -43.29 80.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.65 -43.6 80.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.46 -47.07 85.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.966 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.4 -39.27 91.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.3 t -58.1 -49.06 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.67 0.271 . . . . 0.0 110.594 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.21 -37.89 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 92.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.64 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -68.07 -36.79 80.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.667 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.8 tmt_? -58.44 -41.98 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.952 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -91.44 -14.52 30.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.965 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.64 45.88 26.88 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.227 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.5 m -127.59 158.18 70.79 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 122.624 0.37 . . . . 0.0 110.306 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 36.4 Cg_endo -66.88 120.16 7.23 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.437 2.091 . . . . 0.0 111.798 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.69 -19.01 60.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.671 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.71 -45.07 94.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.362 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.29 20.55 12.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.0 tp -97.24 136.18 38.11 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -124.69 132.08 53.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.073 0.463 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.69 133.67 38.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.616 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -123.38 127.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.138 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 83.1 t80 -139.08 124.16 18.94 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.972 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.43 23.76 11.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.416 . . . . 0.0 112.048 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 12.21 63.89 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.308 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 18.6 ptpt -133.02 174.93 9.83 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.0 127.65 53.66 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.0 159.05 31.23 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.617 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -82.81 138.77 33.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.238 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.43 -29.24 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -93.88 62.59 3.17 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.333 0.587 . . . . 0.0 111.087 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 33.7 t-105 -162.89 158.27 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.289 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -79.14 144.16 34.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.283 0.563 . . . . 0.0 112.139 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.58 -28.27 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.405 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.81 -35.7 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.851 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.51 -18.29 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.444 . . . . 0.0 110.763 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.522 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 85.0 m -82.68 -20.68 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 11.7 m-20 58.76 71.95 0.56 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.293 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 10.4 mp -86.15 0.85 52.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.545 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.62 -3.23 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 0.0 110.558 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 15.0 mm100 -78.13 -39.35 41.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.101 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.559 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 ' HE ' ' A' ' 6' ' ' ARG . 17.2 tt . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HB ' HG22 ' A' ' 5' ' ' VAL . 21.5 t -90.84 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 2.1 m80 -107.56 131.95 53.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.1 120.79 41.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.111 0.481 . . . . 0.0 110.508 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -122.15 147.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.855 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.312 -1.026 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.15 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 27.0 ttt . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.38 117.23 54.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.363 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.84 151.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.919 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HB2' HG13 ' A' ' 66' ' ' ILE . 58.0 m-85 -88.88 140.72 29.15 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.088 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -132.24 133.38 60.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 111.513 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HG3' HD13 ' A' ' 66' ' ' ILE . 77.1 mtp180 -110.96 107.8 17.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.557 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.81 143.86 31.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 8.1 t30 . . . . . 0 N--CA 1.481 1.121 0 C-N-CA 123.194 0.597 . . . . 0.0 112.424 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 7.0 p90 -140.08 159.51 63.94 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 116.692 0.246 . . . . 0.0 110.916 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.05 128.94 6.67 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.761 2.307 . . . . 0.0 111.451 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CE1' ' A' ' 13' ' ' PHE . 58.3 t -109.19 122.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.62 113.72 26.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.547 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.26 -179.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -98.31 175.32 6.1 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.998 0.427 . . . . 0.0 110.713 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 6.1 p -80.31 -3.46 49.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 110.522 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -115.26 14.15 16.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.9 m -79.41 102.54 8.77 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 121.142 0.496 . . . . 0.0 110.998 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 7.3 m -66.49 152.66 44.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 47.4 mm -57.22 -31.86 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 59.5 t80 -63.84 -47.03 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.396 0.617 . . . . 0.0 109.421 176.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm100 -66.25 -38.91 89.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.445 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -54.25 -45.97 72.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.73 -46.09 88.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.62 -34.14 76.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.153 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.0 t -61.0 -47.99 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.035 0.445 . . . . 0.0 109.808 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.67 -38.44 80.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.7 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.56 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -75.27 -24.67 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.362 . . . . 0.0 110.988 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.187 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -94.72 -19.3 20.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.617 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.59 46.83 6.23 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.736 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.48 154.05 62.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.471 0.177 . . . . 0.0 110.594 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.43 115.65 3.64 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.602 2.201 . . . . 0.0 111.826 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.26 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.986 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 0.0 110.475 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.05 26.28 10.57 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.732 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.0 tp -122.11 142.97 49.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.726 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -133.77 136.49 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 0.0 111.472 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.04 134.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.395 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.9 135.91 62.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.288 0.566 . . . . 0.0 111.216 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 50' ' ' LEU . 88.9 t80 -152.28 128.27 10.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.268 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.56 21.88 12.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.364 0.415 . . . . 0.0 111.882 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.99 -3.0 76.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.087 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -126.15 -175.66 3.43 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.56 140.98 39.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.565 ' HB2' HG21 ' A' ' 23' ' ' ILE . 86.6 mt -76.42 150.82 36.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.38 0.609 . . . . 0.0 111.843 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 9.2 ptm180 -61.77 108.89 1.08 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.519 -1.219 . . . . 0.0 110.388 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.5 p30 -60.45 -22.54 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.215 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.09 -18.52 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.546 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.509 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 17.4 t-105 -93.22 157.67 16.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.761 0.315 . . . . 0.0 111.747 -175.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 4.4 t -86.09 145.74 26.92 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.812 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.47 -29.2 30.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.99 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.592 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -63.92 -54.15 39.21 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.53 -176.618 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -71.31 -19.71 62.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.594 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.4 -15.71 59.88 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.038 0.447 . . . . 0.0 110.317 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.6 m-20 54.84 50.49 15.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.159 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.22 -27.31 63.81 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.975 0.417 . . . . 0.0 110.784 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.37 -26.89 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.887 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -102.65 7.14 39.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.958 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 75.8 mm-40 . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.1 tt . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.914 0.387 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 5' ' ' VAL . 58.6 t -84.28 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -116.31 151.33 36.07 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.6 mt -139.11 123.09 19.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.933 0.397 . . . . 0.0 110.56 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -107.17 144.0 16.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.313 -0.988 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.195 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.473 HG12 ' HG2' ' A' ' 16' ' ' GLU . 77.8 mt -100.03 117.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.08 155.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' C ' HG13 ' A' ' 66' ' ' ILE . 76.3 m-85 -92.18 130.02 37.99 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.78 129.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.264 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -114.89 119.45 36.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.149 0.499 . . . . 0.0 109.723 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -91.29 145.93 24.24 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.38 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.489 1.51 0 C-N-CA 124.368 1.067 . . . . 0.0 112.909 177.432 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.219 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -116.61 154.86 49.28 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.4 125.49 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.729 2.286 . . . . 0.0 112.522 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -112.92 117.03 54.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.815 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 2' ' ' ILE . 2.1 tm-20 -90.69 113.75 25.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.192 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.26 -174.33 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.444 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -94.21 168.22 11.05 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.5 ' HB3' ' OE1' ' A' ' 57' ' ' GLN . 66.3 m -83.27 7.76 15.43 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.491 0.662 . . . . 0.0 109.653 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.97 4.23 8.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.971 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -67.73 114.91 6.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 15.9 m -69.46 148.67 49.22 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 50.2 mm -54.58 -36.68 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 56.3 t80 -64.57 -41.97 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 0.0 110.232 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.4 mt-30 -65.17 -41.96 94.13 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.376 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.235 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.14 -40.28 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.049 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.9 -35.55 80.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.9 t -64.95 -49.9 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.259 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.87 -36.68 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.22 60.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.384 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -29.6 64.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -64.38 -38.89 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.241 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.02 -20.15 16.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.766 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.56 45.83 5.39 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.1 m -123.94 157.5 63.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 C-N-CA 122.2 0.2 . . . . 0.0 110.565 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 43.6 Cg_endo -69.53 113.66 3.41 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.414 2.076 . . . . 0.0 112.063 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -28.45 68.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.896 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.74 -40.89 79.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.154 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -94.69 16.36 15.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.56 136.84 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.701 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -122.84 131.12 53.61 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.568 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.38 116.15 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.158 0.504 . . . . 0.0 110.61 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.97 136.39 54.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.306 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -128.25 107.23 9.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.46 -63.58 0.34 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.973 0.796 . . . . 0.0 111.187 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.03 2.22 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -120.76 179.0 4.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.353 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -121.93 131.13 53.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' HG21 ' A' ' 23' ' ' ILE . 27.7 mt -71.4 142.09 50.32 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.852 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -57.8 113.31 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.701 177.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 p-10 -56.7 -33.01 66.04 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.74 17.36 19.51 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.605 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 6.7 t90 -117.69 166.47 12.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.148 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -68.95 144.32 54.19 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.509 HG23 HD12 ' A' ' 61' ' ' LEU . 14.7 p -79.09 -20.75 12.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.416 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.5 ' OE1' ' HB3' ' A' ' 19' ' ' SER . 24.3 tt0 -58.69 -47.17 85.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 13.4 t-20 -85.05 8.06 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.333 0.587 . . . . 0.0 110.903 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' A' ' 23' ' ' ILE . 84.4 m -93.29 -15.76 25.46 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.38 38.14 27.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.578 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.512 HD13 ' CG2' ' A' ' 67' ' ' VAL . 51.0 mt -71.83 2.83 4.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.439 0.638 . . . . 0.0 111.109 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.01 -18.43 13.36 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.479 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -107.34 -51.73 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -175.683 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.0 tt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.2 t -88.16 132.64 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -106.68 108.59 20.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.15 119.92 53.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.29 0.567 . . . . 0.0 111.548 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.88 140.05 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.818 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 C--N 1.318 -0.783 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.373 176.843 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 87.2 mt -82.94 112.1 20.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 62' ' ' ASP . 34.5 m -101.68 168.23 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.302 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' C ' HG13 ' A' ' 66' ' ' ILE . 28.2 m-85 -104.46 125.3 50.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.126 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 67' ' ' VAL . 94.7 t -132.25 142.84 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.654 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -130.3 122.17 27.46 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.369 0.604 . . . . 0.0 110.842 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -87.25 152.25 22.46 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.198 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.166 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -139.13 143.11 35.35 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-O 120.771 0.32 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.57 137.55 14.64 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.363 2.042 . . . . 0.0 111.938 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.75 119.25 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.972 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 41.7 tt0 -84.42 111.97 19.94 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.95 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.24 174.39 4.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.07 162.26 28.69 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 m -62.0 -25.97 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.376 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 70.84 1.08 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.954 0.883 . . . . 0.0 111.326 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -103.83 107.39 18.24 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.038 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -61.27 144.66 53.44 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.538 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 44.8 mm -54.1 -32.38 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 120.797 0.332 . . . . 0.0 111.184 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.8 t80 -62.44 -48.96 77.36 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.069 0.461 . . . . 0.0 110.03 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.0 mm100 -67.03 -39.43 86.99 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.446 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.44 -41.75 76.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.25 -42.71 91.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.038 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.32 -31.82 66.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.955 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -59.45 -46.72 92.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.99 0.424 . . . . 0.0 110.402 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.96 -39.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.225 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.99 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.614 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -66.61 -40.36 88.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.258 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -61.6 -37.86 85.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.912 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -94.6 -11.7 28.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.899 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 45.21 66.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.64 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.95 156.78 61.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.55 0.214 . . . . 0.0 110.783 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.7 125.0 11.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.291 1.994 . . . . 0.0 111.729 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.16 48.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.486 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.94 -51.61 31.37 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.083 0.468 . . . . 0.0 110.344 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -90.64 11.3 22.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.723 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -95.67 135.2 37.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.213 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -121.48 141.07 51.38 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.887 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 HG12 ' A' ' 69' ' ' ILE . 34.8 m -118.02 130.99 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 39.8 mm -124.65 132.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 75.6 t80 -151.4 135.72 16.83 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.0 18.68 4.87 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -5.97 79.32 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.285 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -170.31 3.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.58 151.05 20.35 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.399 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -97.66 159.1 15.13 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.061 0.458 . . . . 0.0 110.911 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' HB2' ' A' ' 54' ' ' TRP . 7.8 ptm180 -63.46 122.84 17.24 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.636 175.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p30 -66.54 -22.34 66.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -92.47 17.42 10.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 23.8 t-105 -119.59 150.73 39.81 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.149 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -73.05 150.22 42.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.848 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.17 -31.1 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.591 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' SER . 26.3 tp60 -60.77 -34.46 74.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.293 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -81.69 -17.3 48.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.56 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.531 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 61.1 m -97.47 -16.24 20.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 57.45 64.32 1.62 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD23 HG22 ' A' ' 67' ' ' VAL . 10.2 mp -83.2 8.52 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 110.765 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' HB3' HG12 ' A' ' 3' ' ' VAL . 8.0 p-10 -115.07 0.53 13.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.982 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -119.16 -64.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.172 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -174.851 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 4' ' ' PHE . 17.0 tt . . . . . 0 N--CA 1.436 -1.169 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 HD23 ' A' ' 61' ' ' LEU . 13.5 t -80.89 111.04 17.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 4.0 m80 -84.26 110.33 18.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.332 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.418 HG12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -114.38 128.59 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 120.977 0.418 . . . . 0.0 111.511 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -133.2 154.26 39.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.931 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.207 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.936 0.398 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.47 118.11 49.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 13.1 m -104.0 156.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.496 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -101.96 138.83 38.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.886 0.374 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.87 129.5 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-O 121.487 0.66 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -106.45 101.92 11.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.681 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.86 121.24 25.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.68 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 121.4 0.619 . . . . 0.0 109.812 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.882 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 26.5 p90 -94.34 154.44 40.35 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-O 120.688 0.28 . . . . 0.0 111.501 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 1.2 Cg_endo -86.67 135.32 4.14 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.032 2.488 . . . . 0.0 112.43 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.87 130.71 74.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.343 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.93 133.16 34.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.041 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.42 172.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.86 168.26 9.4 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 p -64.96 -19.19 65.84 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.12 7.24 21.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.678 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -64.24 111.47 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 111.136 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 22.9 m -72.71 153.66 41.06 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.944 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.31 -33.81 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.036 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 67.2 t80 -60.45 -46.5 89.84 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.986 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.7 mm100 -64.62 -44.58 90.09 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.135 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 tp -57.5 -42.05 81.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.98 -46.02 89.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.869 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.15 -39.68 93.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.369 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.0 t -59.01 -48.03 88.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.998 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.61 -37.96 75.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -53.52 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.672 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 62.8 pttt -66.63 -30.15 70.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.93 -31.12 69.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -101.41 -3.17 29.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.388 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.62 34.0 63.31 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.664 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.97 157.55 48.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 O-C-N 122.654 -0.321 . . . . 0.0 111.021 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.94 127.79 12.53 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.338 2.025 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.42 45.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 111.15 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.2 -35.02 75.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.636 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -107.59 25.68 11.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.31 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.3 tp -103.96 137.86 41.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.48 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -107.34 139.48 41.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.226 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 m -120.68 118.31 56.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.224 0.535 . . . . 0.0 110.939 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -122.23 136.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -145.54 126.6 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.612 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.15 25.17 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.418 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.36 -8.55 77.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.131 -0.557 . . . . 0.0 113.526 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.53 35.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.123 0.461 . . . . 0.0 111.772 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.55 140.25 39.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -87.06 133.95 33.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.63 133.37 54.77 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.07 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.5 p30 -65.4 -28.95 69.62 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -102.62 73.01 1.27 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.57 0.7 . . . . 0.0 111.171 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 22' ' ' SER . 57.7 t-105 -157.44 150.68 23.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.524 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -78.17 138.67 38.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.501 0.667 . . . . 0.0 111.908 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG22 HD23 ' A' ' 61' ' ' LEU . 10.2 p -74.8 -22.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.571 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 17.5 tp60 -68.02 -42.68 80.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 -176.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.87 -6.52 49.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 111.099 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -88.43 -16.71 32.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.649 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 11.5 m-20 49.76 51.63 16.14 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . 3.4 mm? -61.06 -24.09 65.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.722 0.296 . . . . 0.0 111.277 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.28 -32.0 73.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -99.6 -37.4 9.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.25 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 67.6 mm-40 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 0.0 111.152 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.92 129.4 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.724 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -100.7 108.54 20.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.027 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -116.23 124.43 72.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -135.4 148.63 28.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.444 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.396 -179.521 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.63 123.0 48.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 62' ' ' ASP . 32.8 m -111.66 165.97 6.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -111.6 137.33 49.6 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.467 HG12 ' HB ' ' A' ' 67' ' ' VAL . 34.5 m -134.49 145.32 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-O 121.309 0.576 . . . . 0.0 111.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -104.3 147.94 26.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.636 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 21.0 t80 -130.2 143.12 50.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' VAL . 5.5 p-10 . . . . . 0 C--N 1.32 -0.702 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.083 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -139.85 150.62 63.26 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.985 0.393 . . . . 0.0 111.541 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -80.29 139.79 13.36 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.732 2.288 . . . . 0.0 112.13 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.48 127.03 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.72 116.12 23.06 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.24 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.525 HG11 HD13 ' A' ' 26' ' ' LEU . 18.7 m -125.21 174.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.69 176.21 5.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.967 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -70.18 -35.1 73.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.906 0.384 . . . . 0.0 111.23 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -97.04 10.95 37.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -66.89 116.38 7.69 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.274 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -71.13 150.44 45.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.8 mm -60.61 -38.87 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.188 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.64 -40.82 96.11 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 mm100 -66.26 -39.87 89.78 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.984 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HG11 ' A' ' 17' ' ' VAL . 35.1 tp -59.97 -48.59 81.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.44 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 41' ' ' LEU . 39.4 ttpt -60.98 -37.46 82.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 109.613 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -65.5 -43.08 91.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.154 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 25' ' ' GLN . 84.0 t -60.99 -48.6 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.59 -36.77 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.865 0.364 . . . . 0.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.73 31.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.148 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 48.5 pttt -66.24 -30.43 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.276 . . . . 0.0 111.238 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -63.76 -47.45 80.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.838 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -82.61 -15.53 51.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.95 29.46 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.72 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -118.35 163.0 27.35 Favored Pre-proline 0 C--N 1.317 -0.832 0 C-N-CA 122.285 0.234 . . . . 0.0 110.414 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.08 119.05 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.671 2.248 . . . . 0.0 112.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.77 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.83 -52.99 61.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.365 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -106.19 32.18 4.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.296 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 30.1 tp -96.69 130.82 43.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -116.4 122.52 45.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.901 0.381 . . . . 0.0 111.274 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 69' ' ' ILE . 18.9 m -100.79 119.98 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -115.7 128.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 0.0 111.217 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -133.7 122.15 22.97 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.224 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.19 15.57 8.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.124 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.63 -2.52 49.32 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.26 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -132.15 170.33 15.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.968 0.384 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.29 136.66 39.83 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 61' ' ' LEU . 75.6 mt -71.28 154.02 41.95 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.554 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 54' ' ' TRP . 5.4 ptm180 -65.32 108.56 1.97 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.712 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p30 -65.83 -21.04 66.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.421 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.96 4.97 48.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.521 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.2 t-105 -115.1 177.23 4.73 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.654 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -83.94 160.59 21.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.115 0.566 . . . . 0.0 111.619 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.38 -38.05 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.21 -32.51 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.979 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -67.99 -17.14 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.0 110.174 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.9 t -88.38 -15.58 35.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.187 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 56.37 47.14 19.62 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.597 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mm? -51.54 -56.24 14.57 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' HG12 ' A' ' 3' ' ' VAL . 27.0 t70 -62.2 -26.0 68.11 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.048 0.452 . . . . 0.0 111.818 -177.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.77 11.12 30.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.011 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PHE . 19.6 tt . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' HG12 ' A' ' 5' ' ' VAL . 18.0 t -86.01 136.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.639 0.256 . . . . 0.0 110.586 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -99.94 107.99 20.11 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 39.1 mt -105.77 119.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-O 121.117 0.484 . . . . 0.0 110.933 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' ' 8' ' ' ASN . 34.9 m -124.65 137.65 56.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.8 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 120.878 0.37 . . . . 0.0 110.527 178.344 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.091 0.472 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.86 113.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.57 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.44 157.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.04 136.46 34.3 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.682 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB ' ' A' ' 67' ' ' VAL . 46.6 t -133.53 130.23 56.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.689 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 57.0 mtp180 -103.68 103.2 13.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.313 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -80.95 134.72 35.76 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 N--CA 1.468 0.443 0 C-N-CA 123.468 0.707 . . . . 0.0 109.345 -178.156 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -120.51 147.17 44.84 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.7 132.0 22.5 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.473 2.115 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -117.71 125.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.394 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.82 121.86 35.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.88 0.372 . . . . 0.0 111.316 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.87 171.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.455 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.44 168.99 12.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.8 p -64.2 -39.32 93.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.231 0.539 . . . . 0.0 111.63 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.0 17.3 8.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.076 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.08 123.89 23.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.051 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 84.0 p -79.13 160.96 26.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 50' ' ' LEU . 48.9 mm -60.68 -30.11 46.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.893 0.378 . . . . 0.0 110.61 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 76.3 t80 -66.56 -46.67 75.29 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 mt-30 -61.58 -44.04 97.75 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.04 -44.56 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.418 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.42 -37.26 86.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.1 t -61.44 -46.1 97.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 110.092 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.74 -37.59 69.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.469 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -51.99 67.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.177 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -69.16 -28.4 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 110.656 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -65.95 -33.33 75.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.852 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -102.21 -7.1 22.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.144 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.75 41.95 81.32 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.855 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.83 161.79 44.57 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.107 0.163 . . . . 0.0 110.804 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.59 127.65 9.75 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.669 2.246 . . . . 0.0 111.697 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.0 -13.5 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.31 -58.33 8.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.116 0.484 . . . . 0.0 110.592 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -92.86 19.87 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.566 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.2 tp -92.98 125.61 37.66 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.483 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -105.97 132.97 51.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.543 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.21 127.47 67.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.5 mm -124.48 126.15 71.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 111.023 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 88.8 t80 -135.9 120.0 17.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.65 21.28 9.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.11 0.481 . . . . 0.0 110.982 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.6 11.73 70.78 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.936 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -142.93 159.99 41.19 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.14 148.05 25.37 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' ' 23' ' ' ILE . 90.3 mt -95.92 157.23 15.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.288 0.566 . . . . 0.0 111.574 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 51' ' ' ARG . 7.9 ptm180 -61.07 117.69 5.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.947 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 4.0 p-10 -57.93 -29.82 65.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.5 79.68 1.27 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.396 0.617 . . . . 0.0 111.533 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 48.5 t-105 -165.13 143.25 6.25 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.734 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -59.45 128.37 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.276 0.56 . . . . 0.0 112.17 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG23 HD22 ' A' ' 61' ' ' LEU . 11.9 p -68.48 -25.0 30.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.26 -42.36 84.01 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.605 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -19.66 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 75.8 m -77.61 -17.59 57.65 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.49 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 68.64 27.77 5.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.048 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG23 ' A' ' 56' ' ' VAL . 10.4 mp -64.09 -17.11 63.1 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.33 -40.18 64.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.192 0.52 . . . . 0.0 110.231 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -88.97 -32.23 17.74 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.184 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.742 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.5 tt . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' HB ' HG22 ' A' ' 5' ' ' VAL . 8.2 t -87.26 132.78 31.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.905 -177.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.483 ' NE2' ' HD3' ' A' ' 6' ' ' ARG . 12.3 m-70 -106.19 108.27 19.69 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.3 mt -109.48 117.9 55.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.3 t -113.94 136.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 120.787 0.327 . . . . 0.0 110.726 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.732 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 25.9 ttt . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 120.937 0.399 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.3 mt -96.26 119.65 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -118.09 150.56 20.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -93.3 140.15 29.87 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.41 138.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.133 0.492 . . . . 0.0 111.754 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 92.9 mtt180 -110.44 116.88 32.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.754 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -91.28 151.91 20.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.052 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.529 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.9 t30 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.807 0.843 . . . . 0.0 112.302 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 CA-C-O 120.958 0.199 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -134.0 145.6 56.45 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.89 135.83 10.21 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.35 2.033 . . . . 0.0 112.687 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.12 123.01 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.396 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.41 109.58 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.527 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 26' ' ' LEU . 27.1 m -112.86 164.38 8.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.51 156.95 16.12 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 m -64.31 -9.41 17.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.86 7.87 12.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.204 0.526 . . . . 0.0 111.07 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.34 108.06 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.414 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 155.63 40.09 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.021 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.4 mm -56.46 -36.92 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 120.866 0.365 . . . . 0.0 110.697 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 71.9 t80 -62.21 -45.32 93.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.988 176.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.0 mm-40 -63.18 -43.85 97.07 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.36 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 HG11 ' A' ' 17' ' ' VAL . 41.6 tp -57.29 -44.35 83.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.064 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpp -61.14 -42.73 99.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.142 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.39 -37.14 82.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.175 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.9 t -59.98 -51.04 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.05 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.737 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 59.6 pttt -65.44 -34.62 78.72 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.502 0.191 . . . . 0.0 111.471 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -61.55 -42.78 99.33 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -94.16 -7.25 42.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.53 40.41 59.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.353 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.73 154.45 48.05 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.27 115.99 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.415 2.077 . . . . 0.0 112.076 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.85 64.89 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -71.99 -21.82 61.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -107.74 10.91 28.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.523 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.96 137.5 42.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.568 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -123.88 133.1 53.83 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.349 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.51 128.9 62.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.093 0.473 . . . . 0.0 110.71 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.95 119.58 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.776 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 76.6 t80 -117.55 116.45 27.13 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.91 20.42 12.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.196 0.522 . . . . 0.0 111.34 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.18 4.12 69.07 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.001 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -129.47 171.81 12.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.134 0.492 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.2 143.02 36.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.974 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 mt -98.43 -166.8 1.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.732 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -101.83 122.82 44.7 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.9 p-10 -56.2 -36.08 68.01 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -173.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.51 17.8 10.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.425 ' CB ' ' HG2' ' A' ' 51' ' ' ARG . 22.6 t-105 -110.96 150.79 28.73 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.948 -0.47 . . . . 0.0 110.469 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.67 148.68 51.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.49 0.662 . . . . 0.0 112.233 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' CG2' HD22 ' A' ' 61' ' ' LEU . 11.9 p -74.25 -24.36 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.5 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -63.69 -57.77 8.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.005 -178.519 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -64.62 -17.61 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.257 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.0 m -80.37 -8.18 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.154 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 51.06 58.55 5.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.62 0.768 . . . . 0.0 112.795 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -70.3 -57.79 4.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.737 0.303 . . . . 0.0 111.13 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.08 -35.63 59.78 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.305 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -75.29 -38.34 60.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.216 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.371 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.6 tt . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG21 HD23 ' A' ' 61' ' ' LEU . 13.0 t -85.6 139.17 17.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -112.4 108.2 17.27 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.55 118.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 121.044 0.449 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 8.8 p -120.36 135.85 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.971 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--N 1.312 -1.046 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.8 178.772 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.933 0.397 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -99.19 122.3 50.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.0 147.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' C ' HG13 ' A' ' 66' ' ' ILE . 93.9 m-85 -92.38 129.08 38.41 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.317 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -139.63 135.35 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.414 0.626 . . . . 0.0 112.409 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 89.0 mtt180 -107.89 108.92 20.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.055 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -80.57 127.13 32.1 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 CA--C 1.536 0.437 0 O-C-N 123.631 0.582 . . . . 0.0 109.612 -178.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -137.87 149.92 65.94 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.19 112.3 0.57 Allowed 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.816 2.344 . . . . 0.0 112.968 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -99.14 124.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.035 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.89 117.39 30.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -124.17 -179.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.355 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -92.52 172.06 8.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -63.8 -37.32 86.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.116 0.484 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.03 69.24 1.3 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.498 0.666 . . . . 0.0 109.628 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -119.75 111.83 18.5 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.136 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 21.4 m -73.12 151.12 41.73 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -57.03 -34.13 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.53 -49.69 75.52 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.176 0.513 . . . . 0.0 109.847 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.7 mt-30 -65.62 -43.14 90.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.366 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.37 -42.58 82.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -60.66 -45.04 95.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.937 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -68.11 -33.42 74.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.959 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -62.96 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 110.18 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -37.19 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.155 0.503 . . . . 0.0 110.17 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.02 83.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.62 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.94 -30.58 69.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.368 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -65.4 -51.53 59.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.677 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -82.92 -13.94 55.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.608 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.63 47.69 14.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.714 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.555 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.9 m -126.03 154.85 73.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 C-N-CA 122.126 0.17 . . . . 0.0 110.646 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.25 112.18 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.768 2.312 . . . . 0.0 112.309 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB1' ' OE1' ' A' ' 28' ' ' GLU . . . -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.63 -31.09 69.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -102.23 21.06 15.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.32 144.85 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.737 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -131.18 134.91 46.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.445 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.6 m -102.98 123.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.004 0.431 . . . . 0.0 111.975 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -119.21 131.54 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.08 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -119.73 110.56 16.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.66 -66.25 0.25 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.747 0.819 . . . . 0.0 111.636 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.02 17.38 0.22 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.689 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 164.62 33.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.17 159.68 14.77 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.778 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.46 151.47 24.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 152.98 43.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -81.33 -26.53 35.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.942 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.84 74.36 1.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.567 0.699 . . . . 0.0 111.294 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.0 t-105 -165.73 148.87 7.73 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.53 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 t -80.47 143.65 33.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.312 0.577 . . . . 0.0 111.804 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG23 HD22 ' A' ' 61' ' ' LEU . 11.2 p -73.54 -24.83 20.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.9 -45.9 90.35 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.431 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -16.08 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 -178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.8 m -87.71 -22.91 24.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 59.2 48.17 10.73 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.305 0.642 . . . . 0.0 112.416 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 56' ' ' VAL . 6.5 mp -71.65 0.33 8.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.027 0.442 . . . . 0.0 111.438 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.23 -19.92 19.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -106.83 -34.59 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.552 178.671 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 18.5 tt . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.173 0.511 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG21 HD23 ' A' ' 61' ' ' LEU . 7.4 t -85.59 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.209 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -118.59 107.52 13.84 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.5 mt -95.56 119.15 43.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -106.41 135.0 46.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.555 HE22 ' HB ' ' A' ' 36' ' ' VAL . 20.2 tt0 . . . . . 0 N--CA 1.437 -1.117 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.39 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.54 0.21 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.9 mt -110.19 110.7 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.03 162.62 3.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 39.7 m-85 -105.19 143.26 33.62 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.83 139.65 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.891 0.377 . . . . 0.0 111.691 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HG3' HD13 ' A' ' 66' ' ' ILE . 82.7 mtp180 -109.6 97.41 6.97 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -83.44 141.88 31.37 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.545 0.688 . . . . 0.0 109.742 178.769 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 66' ' ' ILE . . . . . . . . 0 N--CA 1.438 -1.17 0 N-CA-C 112.964 -0.054 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -123.89 147.72 54.68 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.19 131.33 12.86 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.688 2.259 . . . . 0.0 113.173 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.48 119.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.242 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.17 125.92 30.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.811 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 26' ' ' LEU . 27.0 m -128.94 158.93 41.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.26 160.47 18.43 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -69.25 -24.64 64.02 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.93 -0.5 57.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -70.67 120.8 16.82 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -80.64 156.25 26.46 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.3 mm -56.47 -38.56 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.733 0.302 . . . . 0.0 110.664 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.4 t80 -59.22 -44.27 92.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.1 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 mm-40 -66.46 -48.08 71.05 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 17' ' ' VAL . 24.8 tp -56.24 -43.56 78.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 86.7 tttt -57.58 -47.58 81.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.027 177.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.17 -37.44 78.18 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.733 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.6 t -59.23 -49.87 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.568 0.223 . . . . 0.0 110.849 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.57 -45.6 98.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.174 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -63.1 -44.61 95.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.33 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -65.79 -41.24 92.22 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.276 0.63 . . . . 0.0 110.778 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -61.91 -45.07 95.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.737 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -85.37 -21.54 28.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.625 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 43.37 6.08 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.955 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.78 154.6 55.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.38 117.57 4.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.483 2.122 . . . . 0.0 111.95 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -76.19 -25.36 55.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.08 -15.64 63.02 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -117.2 17.64 14.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.573 0.701 . . . . 0.0 109.656 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 31' ' ' ALA . 28.1 tp -101.35 144.39 30.22 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.301 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.436 HH11 HG13 ' A' ' 44' ' ' ILE . 6.3 tmm_? -131.04 131.8 44.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.603 0.24 . . . . 0.0 111.024 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 m -107.16 143.99 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.353 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 HH11 ' A' ' 42' ' ' ARG . 25.7 mm -134.93 132.32 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.126 0.488 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -137.92 115.21 11.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.135 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.52 17.41 10.64 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.328 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.36 -14.79 47.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.422 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 155.02 33.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.094 0.447 . . . . 0.0 111.723 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.7 146.66 28.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.071 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' HB2' HG21 ' A' ' 23' ' ' ILE . 72.3 mt -87.31 151.86 22.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 -178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.552 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.67 122.26 17.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.743 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 29.3 p-10 -62.71 -46.66 87.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -87.53 57.76 4.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.962 0.411 . . . . 0.0 112.051 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -149.78 149.95 31.3 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.5 p -61.31 143.91 54.85 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.38 0.672 . . . . 0.0 111.793 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.18 -19.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.023 0.44 . . . . 0.0 110.103 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.7 -35.81 81.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -86.86 14.25 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.24 115.29 23.32 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -69.41 50.41 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.882 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.58 -25.95 54.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.062 0.458 . . . . 0.0 110.295 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -87.32 -29.26 21.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.643 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -82.39 -29.04 31.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.586 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.112 -179.084 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.3 tt . . . . . 0 N--CA 1.442 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 t -87.36 136.07 23.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.897 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -103.59 139.8 38.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.794 0.33 . . . . 0.0 110.852 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 41' ' ' LEU . 22.9 mt -135.48 129.61 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.487 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.02 138.93 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.036 178.123 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.623 0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' ' 16' ' ' GLU . 70.2 mt -101.47 121.86 52.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.458 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.07 146.15 20.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 120.723 0.297 . . . . 0.0 110.352 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CB ' HG13 ' A' ' 66' ' ' ILE . 73.2 m-85 -84.77 128.9 34.83 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -134.41 139.36 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 112.122 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -115.52 133.81 55.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.332 177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -119.64 109.78 16.07 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.955 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.209 . . . . 0.0 113.687 175.275 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -132.4 144.76 54.37 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-O 120.727 0.299 . . . . 0.0 110.61 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -81.42 121.31 3.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.16 119.69 51.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.8 tm-20 -87.87 115.88 25.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.06 168.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.57 164.31 26.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.75 -20.28 66.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.57 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.67 75.58 1.28 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.738 0.78 . . . . 0.0 109.934 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -121.44 108.8 14.08 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.174 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 16.4 m -65.26 151.34 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.483 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 50' ' ' LEU . 46.3 mm -57.89 -37.77 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 0.0 110.97 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.21 -42.58 96.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.965 0.412 . . . . 0.0 109.928 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 mt-30 -65.82 -45.62 81.64 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.753 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -54.62 -44.01 72.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.717 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.08 -46.97 84.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.874 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.01 -36.08 77.4 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 25' ' ' GLN . 76.1 t -61.4 -47.3 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.518 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -66.9 -41.98 88.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 109.926 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.78 63.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.584 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.58 -32.07 73.57 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.725 0.298 . . . . 0.0 110.501 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -58.45 -44.83 89.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.81 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -92.52 -19.68 21.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.025 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.81 39.19 6.26 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.094 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.6 m -117.58 153.09 50.38 Favored Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 122.817 -0.225 . . . . 0.0 110.667 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.03 116.49 4.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.687 2.258 . . . . 0.0 113.296 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.5 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.336 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -63.58 -22.67 67.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.973 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -127.07 15.02 7.34 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.055 0.455 . . . . 0.0 110.19 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 43.9 tp -84.39 128.81 34.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.756 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -103.05 138.57 39.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 69' ' ' ILE . 27.3 m -127.92 139.02 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.206 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.5 mm -126.17 120.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.22 0.534 . . . . 0.0 111.414 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 50' ' ' LEU . 53.1 t80 -129.84 111.59 12.74 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.57 22.09 13.02 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 111.243 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.47 15.35 58.66 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.15 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -149.16 174.6 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.67 -0.312 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -101.37 138.13 38.79 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 45' ' ' PHE . 89.0 mt -78.85 -178.24 5.91 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 54' ' ' TRP . 15.5 mmm180 -64.56 100.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.362 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -51.24 -51.83 50.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.784 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.1 65.81 1.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.439 0.638 . . . . 0.0 110.397 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.625 ' O ' ' HA ' ' A' ' 22' ' ' SER . 40.3 t-105 -164.27 147.4 9.29 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.836 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.76 142.56 58.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 112.76 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 61' ' ' LEU . 9.3 p -70.47 -25.58 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.653 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.588 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 27.4 tt0 -59.13 -47.42 85.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.538 -178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.82 -23.69 65.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.328 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -85.98 -11.75 52.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 57.68 52.16 8.58 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 67' ' ' VAL . 10.1 mp -68.27 -12.59 61.27 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.404 0.621 . . . . 0.0 110.885 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.13 -34.01 61.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -103.36 -32.09 9.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -175.831 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 4' ' ' PHE . 20.3 tt . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' CG2' HD23 ' A' ' 61' ' ' LEU . 15.8 t -81.72 120.94 34.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 120.609 0.243 . . . . 0.0 111.054 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -96.7 107.88 20.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.443 HG12 HG12 ' A' ' 43' ' ' VAL . 28.8 mt -106.94 128.86 61.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.44 135.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.642 0.258 . . . . 0.0 110.59 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.527 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 26.9 tt0 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.57 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.93 119.99 53.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.304 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.74 148.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 120.881 0.372 . . . . 0.0 110.542 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -89.87 137.25 32.5 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.778 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.36 139.17 42.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.431 0.634 . . . . 0.0 111.375 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 68' ' ' HIS . 15.4 mmm180 -102.76 144.86 30.57 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.685 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -136.86 150.5 48.31 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.824 179.793 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -91.23 144.72 30.26 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-O 120.831 0.348 . . . . 0.0 111.65 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.42 131.87 5.75 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.595 2.196 . . . . 0.0 111.859 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG12 HG13 ' A' ' 17' ' ' VAL . 79.3 t -116.71 122.89 70.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.033 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.05 119.97 31.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.007 0.432 . . . . 0.0 110.593 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG11 HD13 ' A' ' 26' ' ' LEU . 19.5 m -131.74 174.65 12.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 2.1 m-20 -84.64 161.45 20.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m -71.67 -25.98 62.34 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.279 0.561 . . . . 0.0 110.064 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -93.09 1.43 57.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.12 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 18' ' ' ASP . 54.5 m -66.31 120.13 12.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 73.7 p -75.1 158.31 33.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.238 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.6 mm -61.45 -24.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.22 -46.82 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.9 mm100 -69.68 -38.88 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.959 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD13 HG11 ' A' ' 17' ' ' VAL . 61.4 tp -60.96 -38.87 87.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.083 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -54.24 -46.43 72.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.064 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -68.08 -41.21 82.25 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 25' ' ' GLN . 87.4 t -58.02 -48.38 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.657 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 69' ' ' ILE . 59.8 t -69.17 -39.0 78.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.273 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.76 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.399 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.76 -28.28 68.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 111.373 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 HG22 ' A' ' 15' ' ' VAL . 45.2 ttt180 -69.66 -36.96 76.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -93.94 -6.47 45.42 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.36 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.28 40.01 50.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.012 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 28.2 m -124.86 153.43 70.74 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.567 0.222 . . . . 0.0 110.544 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 63.9 Cg_endo -76.52 130.43 11.77 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.317 2.011 . . . . 0.0 111.676 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.53 -3.85 39.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.37 -52.16 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.564 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -110.08 32.23 5.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.553 0.692 . . . . 0.0 110.182 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.7 tp -94.75 134.82 36.95 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.38 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -118.34 127.45 53.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.215 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.62 130.62 52.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.953 0.406 . . . . 0.0 111.081 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -119.85 104.93 16.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.331 0.586 . . . . 0.0 109.814 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 78.0 t80 -117.18 113.65 22.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.451 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.74 15.88 9.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.023 0.439 . . . . 0.0 111.289 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.17 -2.76 54.85 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.005 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 159.88 40.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.662 0.267 . . . . 0.0 111.378 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.57 162.53 23.11 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 23' ' ' ILE . 91.8 mt -108.47 165.98 11.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.018 0.437 . . . . 0.0 111.388 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -83.12 114.63 21.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.315 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.4 p-10 -60.91 -14.18 20.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.68 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.89 -9.4 55.8 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 54' ' ' TRP . 8.2 t-105 -113.66 167.29 10.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.498 -0.881 . . . . 0.0 113.15 -175.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 68.2 p -76.33 152.3 36.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.893 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.437 HG23 HD22 ' A' ' 61' ' ' LEU . 14.0 p -73.31 -26.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.235 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.24 -49.88 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.501 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.408 ' HB3' ' HE1' ' A' ' 54' ' ' TRP . 2.8 t-20 -78.21 -14.01 59.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.65 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.81 -11.24 59.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.929 0.395 . . . . 0.0 110.174 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.3 50.75 3.68 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 67' ' ' VAL . 7.9 mp -80.6 -1.9 44.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.186 0.517 . . . . 0.0 111.034 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.88 -39.91 12.04 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.067 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -106.36 -29.86 9.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 . . . . . 0 C--N 1.32 -0.693 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.813 -178.176 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.495 HG21 HD23 ' A' ' 61' ' ' LEU . 10.9 t -81.27 134.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 116.836 -0.166 . . . . 0.0 110.646 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 10.0 m170 -117.63 114.35 23.26 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 30' ' ' VAL . 39.9 mt -111.79 127.52 68.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.444 0.64 . . . . 0.0 111.383 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.7 137.48 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.771 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 7.2 tt0 . . . . . 0 C--N 1.318 -0.798 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.726 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 16' ' ' GLU . 65.5 mt -96.54 122.24 47.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.471 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.67 137.15 51.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.39 129.94 34.84 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.885 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.8 t -131.95 137.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -115.4 133.45 56.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.925 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -102.22 151.48 22.17 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.782 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -139.63 143.36 34.96 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.666 0.269 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.1 122.98 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.621 2.214 . . . . 0.0 111.941 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.37 126.69 60.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.815 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.2 tm-20 -92.4 117.02 29.5 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG11 HD13 ' A' ' 26' ' ' LEU . 11.6 m -135.72 167.16 25.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.96 166.42 18.87 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.011 0.434 . . . . 0.0 110.872 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -74.78 -6.48 49.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.52 8.51 12.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.738 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -66.81 123.05 19.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.475 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.3 m -77.72 147.3 35.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 51' ' ' ARG . 50.6 mm -55.87 -35.39 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 43.9 t80 -60.12 -42.63 95.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.366 . . . . 0.0 110.267 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.7 mm100 -69.51 -42.31 74.89 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 HG11 ' A' ' 17' ' ' VAL . 60.2 tp -56.66 -41.98 78.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.891 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.12 -47.44 86.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.116 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.75 -36.67 85.06 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.534 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' GLN . 73.4 t -58.79 -50.41 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.99 -47.39 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.81 96.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -65.91 -37.49 86.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.089 0.471 . . . . 0.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -65.52 -32.75 74.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.144 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -98.42 -11.73 22.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.515 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 28.03 56.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.619 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.09 156.45 37.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 122.651 -0.323 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -68.3 121.1 8.04 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.754 2.303 . . . . 0.0 111.681 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.5 -18.48 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -80.22 -6.39 57.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.282 0.563 . . . . 0.0 110.27 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.67 11.89 18.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.307 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' CG2' ' A' ' 69' ' ' ILE . 16.5 tp -106.43 141.29 37.99 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.085 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -122.03 131.82 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 m -101.69 114.14 40.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.285 0.564 . . . . 0.0 111.617 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.88 147.47 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.759 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -135.83 106.58 6.58 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.18 -62.46 0.36 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.963 0.789 . . . . 0.0 110.982 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.13 2.2 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -108.65 171.43 7.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.59 146.28 41.91 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' ILE . 65.7 mt -94.51 145.56 24.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.237 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -79.73 152.37 29.9 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 26.2 p-10 -72.56 -40.87 66.33 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -175.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.83 79.12 1.62 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.34 0.59 . . . . 0.0 110.63 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.1 t-105 -162.9 151.93 14.91 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.437 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -71.42 137.84 48.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.113 0.483 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 HD12 ' A' ' 61' ' ' LEU . 8.8 p -73.41 -26.62 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.625 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 29.9 tt0 -67.75 -33.89 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.05 0.452 . . . . 0.0 111.472 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.25 -7.28 59.39 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.102 0.477 . . . . 0.0 110.848 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.8 m -84.59 -12.9 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.14 35.01 21.18 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.013 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 56' ' ' VAL . 35.1 mt -68.76 -10.59 57.47 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.86 -25.47 11.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.558 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -88.35 -52.47 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 C--N 1.319 -0.72 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.834 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 t -80.76 135.24 25.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.725 0.297 . . . . 0.0 110.411 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -111.9 108.4 17.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.031 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 41' ' ' LEU . 28.2 mt -105.51 125.5 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-O 121.117 0.484 . . . . 0.0 111.136 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.19 141.83 43.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.538 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.884 0.373 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -105.44 110.65 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.719 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.26 151.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.106 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -96.67 135.77 38.14 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.1 135.94 47.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.48 0.657 . . . . 0.0 111.895 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 42.6 mtp85 -107.03 109.18 21.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.048 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.6 151.48 22.45 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 123.35 0.66 . . . . 0.0 112.65 -179.809 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -115.37 147.98 39.85 Favored Pre-proline 0 C--N 1.313 -1.014 0 CA-C-O 120.755 0.312 . . . . 0.0 111.378 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.79 134.79 6.46 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 17' ' ' VAL . 49.3 t -115.59 129.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.981 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -90.63 113.05 25.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.07 0.462 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 15' ' ' VAL . 27.9 m -128.34 174.74 11.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.205 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -87.06 166.33 15.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -71.74 -33.49 68.73 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.267 0.556 . . . . 0.0 110.348 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.48 4.35 51.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.501 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -61.61 123.17 17.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.504 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.1 m -80.08 151.27 29.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.013 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -56.52 -29.56 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.311 0.577 . . . . 0.0 110.156 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -52.91 -56.41 16.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.57 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 mm-40 -73.32 -37.27 66.21 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.303 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD13 HG11 ' A' ' 17' ' ' VAL . 60.0 tp -53.75 -41.87 67.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.55 -43.95 96.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.366 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.36 -28.11 62.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.969 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.3 t -65.85 -47.99 83.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.007 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.896 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.02 83.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.593 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -65.83 -45.02 83.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.526 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 HG22 ' A' ' 15' ' ' VAL . 63.9 ttt180 -64.48 -35.74 81.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.464 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -90.22 -23.83 21.15 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.938 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.54 44.48 8.55 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.778 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 34.7 m -129.51 150.27 75.16 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.414 0.15 . . . . 0.0 110.826 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -65.5 119.58 6.63 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.333 2.022 . . . . 0.0 111.467 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.47 63.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -63.92 -27.88 69.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.102 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -108.44 3.68 23.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.628 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.92 136.19 34.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.132 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -116.06 126.96 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.96 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -106.22 128.39 60.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.352 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.61 129.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.286 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -137.85 122.96 19.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.286 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.93 19.23 11.45 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.03 0.532 . . . . 0.0 111.748 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.74 -5.44 66.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.685 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -179.35 5.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.547 0.213 . . . . 0.0 111.035 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.0 164.03 12.1 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.862 0.363 . . . . 0.0 110.313 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt -114.41 155.41 26.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.993 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' H ' ' CD ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -65.01 134.35 53.68 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.337 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -70.27 -32.54 70.4 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -102.71 73.13 1.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.427 0.632 . . . . 0.0 111.495 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.4 t-105 -165.35 157.76 15.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.864 175.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.0 p -69.01 145.08 53.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.424 0.631 . . . . 0.0 112.249 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 HD13 ' A' ' 61' ' ' LEU . 12.4 p -80.06 -20.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.443 178.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -72.61 -29.17 63.26 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.39 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -36.36 23.87 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.4 -30.85 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 t70 62.48 92.0 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.009 0.924 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD13 HG23 ' A' ' 56' ' ' VAL . 7.9 mp -109.4 17.97 20.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -48.58 4.74 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.875 -1.511 . . . . 0.0 111.469 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -117.5 -32.71 4.82 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' HD23 ' A' ' 61' ' ' LEU . 5.4 t -80.67 131.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-O 120.46 0.171 . . . . 0.0 110.725 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -108.57 114.6 28.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.1 mt -119.24 118.94 59.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-O 121.234 0.54 . . . . 0.0 111.352 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 m -111.27 141.27 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.395 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 36' ' ' VAL . 5.7 tp60 . . . . . 0 C--N 1.311 -1.108 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.189 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 20.8 ttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG12 ' HG2' ' A' ' 16' ' ' GLU . 28.8 mt -125.56 131.72 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.678 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.34 157.99 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.429 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -97.22 139.13 33.66 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.239 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 14.5 p -135.36 135.15 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-O 121.303 0.573 . . . . 0.0 111.966 -176.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' CA ' ' A' ' 12' ' ' GLY . 13.0 mmm180 -106.84 101.15 10.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.019 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -87.34 147.6 25.41 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.5 t30 . . . . . 0 C--N 1.323 -0.571 0 O-C-N 123.313 0.383 . . . . 0.0 110.901 179.68 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.814 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -91.49 147.25 34.91 Favored Pre-proline 0 C--N 1.312 -1.032 0 CA-C-O 120.683 0.278 . . . . 0.0 110.518 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.64 125.96 6.43 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.391 2.061 . . . . 0.0 111.958 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -107.62 129.29 61.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.346 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HG2' HG12 ' A' ' 2' ' ' ILE . 40.3 mt-10 -85.53 120.9 27.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.663 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 26' ' ' LEU . 27.8 m -128.73 -179.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.477 -178.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -91.74 171.71 8.97 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -178.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p -81.33 0.3 37.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.752 178.529 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -132.15 24.11 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.256 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 m -76.58 116.99 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.39 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 m -77.23 156.15 31.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.011 177.648 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 50' ' ' LEU . 41.6 mm -55.32 -38.79 49.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.889 0.376 . . . . 0.0 111.229 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.0 t80 -64.8 -36.06 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.726 179.095 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.6 mt-30 -68.96 -45.11 71.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.505 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 17' ' ' VAL . 50.6 tp -58.93 -39.01 80.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 88.3 tttt -58.56 -49.38 77.63 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.877 176.77 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.32 -46.75 87.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.364 179.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.8 t -55.0 -51.98 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.202 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.33 -35.85 72.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.797 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.0 62.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -68.99 -29.49 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.76 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -64.54 -39.26 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.187 0.518 . . . . 0.0 110.498 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -92.84 -6.72 48.18 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.287 -179.006 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.68 37.72 67.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.299 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.44 150.68 48.4 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.532 0.206 . . . . 0.0 110.727 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 31.3 Cg_endo -65.79 119.66 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.475 2.117 . . . . 0.0 111.476 178.133 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -66.43 -23.83 66.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.146 -178.211 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -68.4 -24.53 64.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -108.21 12.35 26.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.391 0.615 . . . . 0.0 110.306 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -97.75 144.33 27.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.085 -178.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -122.99 130.11 52.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.731 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.93 122.97 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.127 0.489 . . . . 0.0 111.368 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -118.52 130.41 73.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.399 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 68.7 t80 -128.99 114.27 16.21 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 5.61 3.42 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.404 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.45 7.11 Favored Glycine 0 C--O 1.227 -0.331 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.709 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -113.02 170.75 7.98 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.48 138.39 39.46 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.8 mt -85.53 170.34 12.71 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.141 0.496 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 7.2 ptm180 -90.0 155.97 18.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.776 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.4 p-10 -72.64 -39.23 67.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -90.48 65.23 6.06 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.358 0.599 . . . . 0.0 110.372 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.476 ' NE1' ' HB2' ' A' ' 59' ' ' CYS . 26.1 t-105 -146.81 132.95 19.32 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.1 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -79.35 140.6 37.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.365 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 HD13 ' A' ' 61' ' ' LEU . 8.6 p -76.6 -24.89 15.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.814 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.526 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 24.3 tp60 -68.81 -42.9 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.132 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.51 -18.66 56.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.102 0.477 . . . . 0.0 110.896 -178.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 26.1 t -90.25 -37.42 14.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 64.17 94.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.686 0.794 . . . . 0.0 111.205 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 9.6 mp -103.31 26.55 8.21 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.82 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.64 -43.57 3.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.864 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -90.55 -41.97 11.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 . . . . . 0 C--N 1.316 -0.857 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 -179.077 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD13 ' HG2' ' A' ' 6' ' ' ARG . 18.6 tt . . . . . 0 N--CA 1.44 -0.971 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD23 ' A' ' 61' ' ' LEU . 10.7 t -80.83 129.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -177.262 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -107.16 111.05 23.3 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.47 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.89 121.59 66.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-O 121.187 0.518 . . . . 0.0 110.601 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -128.92 145.87 35.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.84 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' OE1' ' HD2' ' A' ' 37' ' ' PRO . 7.7 tt0 . . . . . 0 C--N 1.316 -0.861 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.58 111.69 37.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.76 144.1 16.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.839 0.352 . . . . 0.0 110.314 178.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB2' HG13 ' A' ' 66' ' ' ILE . 44.9 m-85 -87.83 125.89 34.72 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' A' ' 67' ' ' VAL . 69.6 t -131.93 134.24 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.443 -176.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 99.4 mtt180 -107.96 100.71 10.03 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.103 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -85.99 108.79 18.38 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 -178.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.229 -179.506 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.444 -0.792 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -140.56 150.01 59.07 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 116.64 0.22 . . . . 0.0 110.493 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 121.99 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.275 1.983 . . . . 0.0 111.141 177.015 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.6 t -94.47 119.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.135 0.493 . . . . 0.0 110.203 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -90.83 111.82 23.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.884 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 26' ' ' LEU . 16.5 m -126.68 -177.49 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.6 162.21 14.27 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -64.56 -23.44 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.071 177.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -110.98 66.42 0.63 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.565 0.698 . . . . 0.0 109.954 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -116.75 114.24 23.71 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.94 178.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 37.2 m -69.65 149.68 47.83 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 178.578 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.19 -39.93 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.611 0.244 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.464 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 69.9 t80 -61.72 -47.61 84.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.968 0.413 . . . . 0.0 110.269 177.322 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.8 mm100 -63.67 -41.39 98.18 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.079 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 HG11 ' A' ' 17' ' ' VAL . 53.8 tp -57.21 -47.14 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.514 178.469 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.37 -43.75 92.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.142 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.49 -36.48 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.02 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' GLN . 66.8 t -62.62 -50.39 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.397 178.099 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.18 -39.5 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.172 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -59.98 -52.48 65.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.694 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -34.43 72.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.605 -178.432 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.4 ttt180 -67.67 -30.02 69.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 -177.587 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -103.78 -6.76 21.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.72 55.98 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.046 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 31' ' ' ALA . 18.7 m -136.56 153.49 76.06 Favored Pre-proline 0 C--N 1.318 -0.789 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.718 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.19 117.35 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.242 1.962 . . . . 0.0 111.925 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.28 -37.83 88.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.745 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -102.79 19.39 19.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.483 0.659 . . . . 0.0 110.589 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.7 tp -101.62 151.84 21.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.303 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -130.81 137.97 49.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.57 0.224 . . . . 0.0 110.534 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.54 129.18 75.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.174 0.511 . . . . 0.0 111.14 178.144 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -123.86 132.36 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.566 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 88.6 t80 -133.93 124.36 26.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.19 22.69 13.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.73 11.63 70.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -142.83 -178.45 5.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.55 138.36 48.18 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.88 166.76 12.89 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.585 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -73.16 142.92 47.43 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.373 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 24' ' ' PHE . 87.3 m-20 -74.32 -26.76 60.36 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 120.9 0.381 . . . . 0.0 111.455 -177.058 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -102.92 67.91 0.98 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.066 -175.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 19.2 t-105 -161.82 151.88 16.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.405 177.127 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -73.73 142.53 46.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.309 0.576 . . . . 0.0 111.961 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 61' ' ' LEU . 12.6 p -72.11 -25.37 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -59.15 -42.54 90.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.296 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.53 -1.54 58.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.061 0.458 . . . . 0.0 111.037 -177.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.421 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 72.7 m -95.78 -17.6 21.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.671 178.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 57.33 55.46 5.81 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.541 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 11.1 mp -76.75 -0.59 24.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.155 0.502 . . . . 0.0 111.455 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.98 -8.19 18.74 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.243 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -118.78 -56.84 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.023 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.049 -176.876 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 4' ' ' PHE . 21.0 tt . . . . . 0 N--CA 1.434 -1.243 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 5' ' ' VAL . 4.5 t -81.69 129.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 -177.802 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -106.88 108.68 20.31 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.38 129.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 -178.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -135.2 148.75 28.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.953 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -179.458 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.591 0.234 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.1 mm -93.27 123.11 45.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.533 178.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 62' ' ' ASP . 29.6 m -115.06 157.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.188 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -101.84 132.34 47.67 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.78 141.28 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.059 0.457 . . . . 0.0 111.563 -177.104 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -115.52 119.36 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.149 176.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -100.51 113.88 27.03 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.589 0.233 . . . . 0.0 110.901 -178.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.295 178.662 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.941 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -130.1 145.85 59.01 Favored Pre-proline 0 C--N 1.309 -1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.1 114.85 2.26 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.752 2.301 . . . . 0.0 112.243 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -99.92 125.91 53.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -82.46 118.73 23.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 179.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.71 170.0 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.92 170.08 8.07 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 p -67.22 -18.52 65.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.68 24.95 11.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.467 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 m -87.33 115.3 24.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.128 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -79.61 167.12 21.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.071 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.36 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.45 -51.59 69.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.484 175.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.2 mm100 -66.87 -45.08 79.24 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.69 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 tp -56.12 -43.18 77.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -58.55 -46.01 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.036 178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.425 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 75.1 t -59.43 -53.53 46.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.689 179.028 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.62 -38.29 81.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.885 0.374 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.64 -45.13 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.9 -29.89 67.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 -178.031 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 30.3 mtp-105 -65.44 -44.42 87.37 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.941 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.37 -34.31 28.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.219 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.8 41.82 4.3 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.53 156.24 55.9 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.638 -0.281 . . . . 0.0 110.423 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.65 119.32 6.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.641 2.227 . . . . 0.0 111.617 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.82 -21.74 56.99 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.178 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.99 -51.11 35.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.566 0.222 . . . . 0.0 111.413 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -89.22 22.02 3.01 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.849 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 31' ' ' ALA . 40.0 tp -93.18 138.58 31.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.254 177.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -119.88 125.58 48.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.05 0.452 . . . . 0.0 111.867 -177.109 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -97.38 133.16 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.59 176.585 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -130.68 136.68 57.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.218 0.532 . . . . 0.0 111.094 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -140.66 113.52 8.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.18 177.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 22.88 12.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.924 0.49 . . . . 0.0 111.75 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 -16.96 53.8 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.624 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 158.85 26.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 117.143 0.472 . . . . 0.0 111.254 -178.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -91.13 147.49 23.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 178.799 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.5 mt -91.44 150.22 21.34 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.86 133.39 54.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.305 177.592 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -64.32 -40.86 96.75 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.079 -177.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.11 70.37 7.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.645 0.736 . . . . 0.0 110.736 -177.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -164.0 135.33 4.59 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.352 177.024 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.61 139.93 58.47 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.331 0.586 . . . . 0.0 112.362 -178.212 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.38 -19.97 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.278 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -35.65 78.92 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.286 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.04 -2.13 57.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 110.046 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.54 -31.86 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.717 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.35 42.44 9.14 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.771 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.51 1.4 2.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.945 -179.082 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -101.58 -29.8 11.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 178.712 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.65 -13.83 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.376 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 . . . . . 0 C--N 1.313 -0.979 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 177.534 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -81.39 130.54 35.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -103.34 128.94 50.29 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.76 129.08 66.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.348 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.67 139.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.034 0.445 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.03 179.543 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.47 124.95 46.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.491 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.46 149.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 120.697 0.284 . . . . 0.0 110.512 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -92.16 130.69 37.82 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.03 134.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.158 0.504 . . . . 0.0 111.688 -177.285 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG3' HD13 ' A' ' 66' ' ' ILE . 56.4 mtp180 -106.55 144.14 33.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.843 177.555 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -133.44 109.82 9.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.143 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 N--CA 1.475 0.789 0 O-C-N 123.942 0.776 . . . . 0.0 113.083 178.914 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.257 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.2 p90 -104.36 151.94 39.2 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 5.1 Cg_endo -87.24 126.27 2.31 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.745 2.297 . . . . 0.0 112.534 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.1 119.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.085 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -82.81 121.34 26.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.449 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.4 172.05 13.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.732 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -92.38 175.43 6.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.099 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 p -67.62 -36.04 80.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 111.321 -178.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -111.81 23.68 13.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.088 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -67.65 114.67 6.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -65.77 147.79 52.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.293 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.7 mm -56.62 -36.02 47.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 76.3 t80 -60.1 -42.98 95.85 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.026 0.441 . . . . 0.0 110.028 177.632 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.6 mm100 -61.74 -47.07 86.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.298 179.224 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.583 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.57 -46.19 87.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.898 177.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.8 mm-40 -63.34 -41.19 98.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.216 178.138 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 25' ' ' GLN . 62.6 t -57.36 -49.63 79.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.166 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.579 178.224 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.52 -40.97 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.04 -55.14 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.505 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 18.8 ptpt -68.24 -29.52 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.187 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -71.51 -26.84 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.009 0.433 . . . . 0.0 110.863 -178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -107.68 3.65 24.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -178.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.08 47.67 63.75 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.55 177.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.47 151.36 77.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.938 0.369 . . . . 0.0 110.883 178.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.86 119.12 5.72 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.562 2.175 . . . . 0.0 111.814 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.5 -24.01 67.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.574 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.42 -23.66 67.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.888 0.375 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -118.31 23.82 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.295 0.569 . . . . 0.0 110.174 -179.579 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -102.59 139.17 38.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.88 -178.286 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 11.8 tpp180 -111.8 131.13 55.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -179.716 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.35 106.72 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.514 0.673 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.43 101.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-O 121.282 0.563 . . . . 0.0 110.788 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -90.79 111.39 22.75 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.12 -63.36 0.37 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.979 0.8 . . . . 0.0 110.84 -176.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.15 12.92 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.298 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.78 166.64 32.9 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.158 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.583 ' OE1' ' HD3' ' A' ' 42' ' ' ARG . 4.2 mm-40 -74.15 156.86 36.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.139 177.078 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 23' ' ' ILE . 59.8 mt -108.53 163.69 13.01 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.368 0.604 . . . . 0.0 111.208 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -74.04 108.13 6.66 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.629 176.421 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 49.6 m-80 -64.19 -28.13 69.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.18 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.28 -17.67 38.9 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' HB3' ' HG2' ' A' ' 51' ' ' ARG . 9.4 t-105 -99.12 172.92 7.07 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.286 -0.566 . . . . 0.0 111.483 -176.587 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -76.55 153.58 35.28 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.657 0.741 . . . . 0.0 112.976 -174.456 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.52 -30.36 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.468 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.54 -38.93 92.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 -178.464 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.99 -21.22 63.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 0.0 110.952 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.5 m -81.0 -22.51 39.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 21.1 m-20 64.52 61.04 0.87 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.616 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.58 -23.23 53.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 178.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.21 -30.57 23.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 60' ' ' ASP . 33.2 tt0 -85.05 -48.53 9.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.484 -179.338 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.662 0.268 . . . . 0.0 111.471 -177.615 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.0 tt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.16 127.32 40.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.523 0.201 . . . . 0.0 110.591 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -99.84 106.89 18.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -108.57 130.57 61.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.243 0.544 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.83 150.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.088 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--N 1.308 -1.213 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.97 -178.16 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 120.76 0.314 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.4 mt -104.08 117.23 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.71 165.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.34 140.92 42.4 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.622 0.248 . . . . 0.0 110.451 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -138.36 143.05 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.332 0.587 . . . . 0.0 111.877 -177.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -115.28 111.98 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -93.73 140.18 29.95 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.637 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.841 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.787 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -135.83 151.28 73.77 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-O 120.525 0.202 . . . . 0.0 110.667 178.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.05 144.63 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.531 2.154 . . . . 0.0 112.439 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.27 118.8 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.939 177.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.94 127.25 33.35 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.957 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.39 166.66 11.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.959 -177.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -103.19 -177.72 3.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.583 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 25.1 m -77.1 -13.09 60.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.424 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.68 19.13 12.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.572 -178.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -81.57 100.67 9.52 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.884 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -68.58 150.68 47.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.619 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.9 mm -57.29 -34.54 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.105 0.479 . . . . 0.0 110.533 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -61.3 -42.95 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.1 mt-30 -68.44 -44.12 75.61 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.901 178.509 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.01 -42.72 76.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.178 0.513 . . . . 0.0 110.103 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.05 -44.3 87.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.981 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 51.5 mt-10 -71.52 -32.4 68.15 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.395 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' GLN . 68.9 t -62.7 -47.69 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.432 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.25 -41.41 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.143 178.453 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.66 -42.45 99.62 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.167 0.508 . . . . 0.0 110.709 178.502 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.26 -41.54 96.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -66.91 -31.3 71.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.947 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -96.76 -10.53 26.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.762 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.72 48.11 51.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.18 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.45 155.69 80.68 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 111.88 1.09 Allowed 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.604 2.203 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 28' ' ' GLU . . . -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.896 -177.105 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.84 -31.06 70.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -96.08 8.91 42.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 31' ' ' ALA . 22.7 tp -96.28 141.84 29.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.058 -179.48 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 42' ' ' ARG . 3.8 ttt180 -127.61 149.17 50.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.668 0.271 . . . . 0.0 110.692 -178.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.61 142.08 23.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.834 0.349 . . . . 0.0 111.29 179.248 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -130.87 119.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -138.03 124.16 20.35 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.7 20.35 11.52 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 -179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.96 66.48 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.895 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 164.73 29.62 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.557 -0.378 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -89.89 154.09 20.13 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.621 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.9 mt -86.16 -177.36 6.25 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.815 -176.464 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -81.69 -14.11 56.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.091 -177.727 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.619 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 79.4 m-20 67.74 -60.3 0.4 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 175.88 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -66.58 -35.04 79.24 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 58' ' ' ASN . 1.2 t90 -77.66 164.41 25.33 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.733 -174.521 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 t -74.95 152.7 38.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 112.227 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.68 -16.43 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.669 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 17.0 tp60 -63.16 -37.53 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 111.079 -177.323 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 4.1 t-20 -90.55 8.74 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.542 0.687 . . . . 0.0 109.914 179.598 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.3 94.99 4.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.7 95.42 0.11 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.926 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 67' ' ' VAL . 8.9 mp -110.33 0.37 17.97 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.867 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -86.89 -42.48 13.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.932 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -104.81 27.03 8.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.906 0.384 . . . . 0.0 111.257 -179.19 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 179.748 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 N--CA 1.444 -0.769 0 CA-C-O 120.811 0.338 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -81.44 131.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.001 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -105.39 135.75 46.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.54 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.4 mt -128.65 122.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-O 121.082 0.468 . . . . 0.0 111.197 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -118.35 144.29 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.163 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.19 121.52 54.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 62' ' ' ASP . 35.0 m -102.99 148.9 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -93.02 127.94 38.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.27 136.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.235 0.54 . . . . 0.0 111.92 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 94.0 mtt180 -113.91 114.12 25.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.722 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 10' ' ' SER . 56.2 t80 -89.0 143.1 27.09 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -49.06 -37.12 20.06 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -105.49 22.1 16.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.813 0.339 . . . . 0.0 111.097 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 15.2 m -143.57 -171.54 3.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.349 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -105.38 -166.14 1.19 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.4 91.38 1.61 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.143 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -99.8 151.56 37.52 Favored Pre-proline 0 C--N 1.315 -0.911 0 CA-C-O 120.679 0.275 . . . . 0.0 111.195 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.34 126.85 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.813 2.342 . . . . 0.0 112.429 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -115.57 122.77 70.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.76 121.49 26.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 26' ' ' LEU . 33.0 m -132.95 159.05 43.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.42 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.1 162.6 16.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.1 m -66.68 -28.14 68.22 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.309 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.76 4.27 54.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.735 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 m -67.79 114.34 6.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.0 m -69.87 151.22 45.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 50' ' ' LEU . 50.2 mm -55.01 -44.32 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.459 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 31.5 t80 -65.1 -39.49 93.2 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.283 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.8 mt-30 -61.49 -42.13 98.32 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.161 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 17' ' ' VAL . 35.5 tp -64.11 -39.72 94.64 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.227 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -57.1 -45.79 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -31.16 71.78 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.19 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 25' ' ' GLN . 53.3 t -65.92 -49.96 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.205 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.48 -39.13 84.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.795 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -61.62 -38.19 86.72 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.394 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -68.83 -48.29 63.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.658 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -57.2 -48.57 78.45 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.439 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -101.51 6.08 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 54.52 37.11 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.245 -0.503 . . . . 0.0 113.278 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' ALA . 35.7 m -118.74 151.91 50.69 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.98 113.69 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.818 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -28.54 69.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.572 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -67.61 -22.01 65.37 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.051 0.453 . . . . 0.0 110.715 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 13.8 mm-40 -113.59 13.27 18.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.023 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -93.18 129.46 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.752 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -115.73 122.25 44.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.505 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.5 m -109.19 135.18 48.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -122.1 126.21 74.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.274 0.559 . . . . 0.0 111.653 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CD2' HD21 ' A' ' 50' ' ' LEU . 63.9 t80 -134.91 118.64 17.13 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.639 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.42 7.24 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.409 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.39 -28.12 10.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.854 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 170.42 8.28 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 122.659 -0.318 . . . . 0.0 111.365 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -92.78 141.26 28.64 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.54 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -80.49 159.21 25.63 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -56.95 137.19 55.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.801 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.8 p-10 -71.39 -21.12 62.05 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.58 84.88 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' O ' ' HA ' ' A' ' 22' ' ' SER . 25.0 t-105 -171.85 161.08 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.083 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 19' ' ' SER . 63.0 p -67.53 140.43 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.519 0.512 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 61' ' ' LEU . 11.2 p -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.977 0.417 . . . . 0.0 110.447 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.93 -50.42 66.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.2 -1.28 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.551 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -96.7 -8.78 30.56 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.186 -0.321 . . . . 0.0 111.199 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 21.5 m-20 66.37 35.68 5.62 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 175.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 8.0 mp -68.3 -14.98 63.38 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 120.444 -0.502 . . . . 0.0 112.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -99.31 -22.7 15.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.055 0.455 . . . . 0.0 110.348 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -95.34 -47.66 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.569 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 84.3 mm-40 -91.6 92.43 8.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.5 tt -115.81 145.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -81.54 137.69 20.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.429 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -109.15 133.34 53.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -132.29 125.18 53.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 121.115 0.483 . . . . 0.0 110.98 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.33 141.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -103.66 141.5 35.94 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.247 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 17.2 mmm180 -123.34 71.86 47.04 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.001 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.49 146.62 9.66 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.406 2.07 . . . . 0.0 111.953 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -85.82 -28.47 24.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.039 0.447 . . . . 0.0 109.935 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 75' ' ' ARG . 10.7 ptp180 -138.28 105.55 5.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 111.36 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.927 176.9 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.7 ttt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.73 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.8 0.334 . . . . 0.0 110.409 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -111.81 153.13 13.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 66' ' ' ILE . 58.3 m-85 -92.01 134.83 34.45 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.144 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG23 ' HB ' ' A' ' 67' ' ' VAL . 7.3 p -140.14 147.11 23.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.567 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -113.67 151.32 31.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 55.6 t80 -134.28 147.13 50.57 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 27.6 t-20 -52.06 -35.73 48.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.002 0.521 . . . . 0.0 112.319 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -98.34 18.35 16.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.934 0.397 . . . . 0.0 111.217 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.8 t -141.65 -164.14 1.72 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -119.97 -62.11 1.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.897 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.5 119.04 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -139.45 153.4 70.66 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-O 120.576 0.227 . . . . 0.0 110.648 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -88.75 138.73 3.72 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 122.37 2.047 . . . . 0.0 111.934 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.527 HG12 HG13 ' A' ' 17' ' ' VAL . 82.1 t -114.46 123.85 70.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.285 0.564 . . . . 0.0 110.411 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.5 102.13 11.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.405 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG13 HG12 ' A' ' 15' ' ' VAL . 18.5 m -116.32 -174.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -104.44 160.66 14.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.628 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -67.1 -11.17 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -114.46 16.36 17.73 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.592 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -76.5 118.99 19.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.821 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' HG3' ' A' ' 25' ' ' GLN . 73.4 p -81.17 163.71 22.88 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.528 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -60.93 -31.14 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.974 0.416 . . . . 0.0 109.917 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 63.9 t80 -62.48 -49.03 77.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.966 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.4 mt-30 -67.88 -43.54 79.13 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.223 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG11 ' A' ' 17' ' ' VAL . 60.4 tp -56.46 -40.34 74.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.4 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' HB1' ' A' ' 38' ' ' ALA . 33.2 ttpt -58.22 -48.97 78.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.754 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.71 -37.93 89.26 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.587 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -57.52 -51.7 66.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.933 0.397 . . . . 0.0 110.419 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.31 -40.19 86.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -61.67 -47.28 86.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.41 -37.89 88.31 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.162 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.13 -33.84 76.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.01 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -93.66 -16.65 24.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.446 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.51 41.01 10.3 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.118 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 m -129.2 157.54 75.75 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.92 -0.165 . . . . 0.0 110.774 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.43 120.41 7.54 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.349 2.032 . . . . 0.0 111.079 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -68.44 -17.92 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.001 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -76.87 -26.5 54.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.058 0.456 . . . . 0.0 110.398 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -95.43 19.3 11.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 31' ' ' ALA . 17.4 tp -105.93 137.0 44.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.001 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -119.46 121.2 38.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.16 131.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.93 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -127.24 135.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.967 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -147.95 128.93 14.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.169 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 23.96 8.47 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.409 0.443 . . . . 0.0 111.969 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 1.75 78.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.318 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -125.99 177.29 6.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.145 0.473 . . . . 0.0 111.043 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -109.05 121.61 45.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.745 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.21 159.3 23.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.59 25.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.042 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.0 p-10 -64.58 -40.58 95.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.121 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.69 71.58 4.22 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.99 0.9 . . . . 0.0 110.82 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -155.69 138.76 15.5 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.202 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 58' ' ' ASN . 3.2 t -78.52 143.2 36.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.114 0.483 . . . . 0.0 111.551 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.671 HG23 HD23 ' A' ' 61' ' ' LEU . 13.5 p -68.9 -23.12 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 57.1 tt0 -65.94 -57.03 8.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.739 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.402 ' H ' HG23 ' A' ' 55' ' ' THR . 17.2 m120 -77.58 0.07 24.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.794 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 10.6 t -96.76 -12.47 23.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 52.99 47.74 23.98 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.671 HD23 HG23 ' A' ' 56' ' ' VAL . 2.9 mm? -75.06 1.52 12.88 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.655 0.741 . . . . 0.0 109.85 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -75.79 -33.47 60.15 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.471 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -124.88 -38.05 2.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.037 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -77.41 97.19 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.1 tt -132.51 147.32 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' HB ' HG23 ' A' ' 5' ' ' VAL . 26.3 t -81.39 130.52 35.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.728 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -100.92 108.29 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 30.7 mt -111.3 119.16 59.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 121.14 0.495 . . . . 0.0 111.143 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 27.5 m -119.86 147.78 23.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -95.49 138.21 33.47 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.282 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 3.5 mmp_? -126.45 84.95 61.15 Favored Pre-proline 0 C--N 1.315 -0.934 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.18 117.36 3.17 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.256 1.971 . . . . 0.0 112.622 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -98.47 11.08 39.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -124.65 5.28 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.465 0.65 . . . . 0.0 110.134 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--N 1.312 -1.046 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.476 -178.1 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.1 ttt . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.95 111.03 34.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 120.815 0.341 . . . . 0.0 110.67 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.72 168.95 2.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.823 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 66' ' ' ILE . 83.8 m-85 -117.76 135.49 54.01 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' ' HA3' ' A' ' 12' ' ' GLY . 34.5 m -133.0 148.93 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 112.024 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HE ' HG21 ' A' ' 66' ' ' ILE . 93.5 mtt180 -110.17 155.13 22.38 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -135.31 105.84 6.45 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.092 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m120 45.96 23.11 0.16 Allowed 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -160.14 168.36 25.66 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.282 -0.261 . . . . 0.0 110.525 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 m -73.3 141.64 47.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.5 m80 66.79 179.14 0.22 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.464 0.477 . . . . 0.0 110.22 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 5' ' ' VAL . . . -173.63 -136.29 2.17 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 119.244 -1.455 . . . . 0.0 113.184 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -139.44 154.0 71.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-O 120.517 0.199 . . . . 0.0 110.872 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.27 145.62 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.623 2.215 . . . . 0.0 112.021 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.22 122.03 63.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.97 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -93.14 113.53 25.79 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 HD13 ' A' ' 26' ' ' LEU . 23.9 m -127.69 176.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -85.45 168.67 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.276 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.04 -21.39 62.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.071 0.462 . . . . 0.0 111.148 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -109.69 35.5 3.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.004 0.431 . . . . 0.0 110.952 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -85.4 129.26 34.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.655 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 t -83.65 153.88 24.01 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.92 -39.07 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 120.836 0.35 . . . . 0.0 110.47 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.77 -43.95 97.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 97.8 mt-30 -63.99 -47.84 78.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 17' ' ' VAL . 53.5 tp -57.04 -43.32 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.37 -46.9 85.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.16 -35.86 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.385 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.6 t -60.45 -45.7 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.214 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.31 -46.85 94.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.209 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -59.77 -45.08 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.011 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -63.99 -42.16 97.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.952 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.81 -49.97 72.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.742 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.07 -10.88 56.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.93 51.57 6.22 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.439 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 32.5 m -131.96 157.27 78.67 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -80.21 126.94 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.612 2.208 . . . . 0.0 111.719 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.14 47.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.22 -55.1 37.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.137 0.494 . . . . 0.0 111.293 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -99.69 5.17 45.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.456 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.91 130.96 39.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.567 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -121.62 132.03 54.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.694 0.283 . . . . 0.0 110.681 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.18 127.7 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.826 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.11 126.18 73.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.742 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.635 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 43.5 t80 -119.62 108.5 14.55 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.674 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 65.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.101 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.17 -10.28 35.55 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -152.2 156.87 40.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.976 0.888 . . . . 0.0 112.267 -178.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.82 168.63 17.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.102 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD13 ' SG ' ' A' ' 59' ' ' CYS . 24.4 mt -119.98 161.52 20.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.23 150.42 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.176 174.317 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -86.53 -24.37 25.53 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.71 70.74 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.685 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -164.43 156.9 16.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.189 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -68.86 143.9 54.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 112.961 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG23 HD22 ' A' ' 61' ' ' LEU . 10.9 p -80.79 -27.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.963 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 19.5 tm0? -63.78 -44.48 93.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.652 -176.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.65 -0.6 43.3 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.7 t -98.27 -14.37 20.3 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.986 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.79 39.64 4.63 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -65.77 -18.12 65.1 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.01 -0.96 49.89 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.036 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -101.41 -53.1 3.08 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 85.2 mm-40 -79.82 82.84 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.906 0.384 . . . . 0.0 111.465 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.448 HG21 ' HE ' ' A' ' 6' ' ' ARG . 21.4 tt -153.42 154.53 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.272 -175.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG21 HD23 ' A' ' 61' ' ' LEU . 20.1 t -84.09 133.96 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.601 0.239 . . . . 0.0 110.385 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -98.64 108.74 21.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.893 0.378 . . . . 0.0 110.366 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 49.2 mt -107.51 131.64 57.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.78 136.04 61.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.127 0.489 . . . . 0.0 110.974 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -115.28 130.59 56.95 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.297 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -135.5 86.15 29.91 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.681 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.94 144.35 76.28 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.699 2.266 . . . . 0.0 111.626 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -103.83 -33.51 8.86 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -114.92 19.33 15.91 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.204 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.218 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.944 0.402 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 68.3 mt -126.84 114.71 38.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.864 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -93.82 145.88 7.29 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 120.983 0.42 . . . . 0.0 110.948 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 67' ' ' VAL . 19.2 m-85 -93.98 127.31 39.69 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.519 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.93 140.22 39.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.102 0.477 . . . . 0.0 112.275 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HG2' ' HA2' ' A' ' 12' ' ' GLY . 16.2 mtm180 -115.22 136.46 53.08 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.534 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 53.3 t80 -100.34 146.36 27.05 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 11.1 t30 -55.19 -26.61 40.25 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -116.44 27.0 9.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.118 0.485 . . . . 0.0 110.559 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 12.0 t -150.9 -168.47 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -110.85 -169.34 1.44 Allowed 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 6' ' ' ARG . . . -82.31 129.22 8.92 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.406 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -138.8 146.24 49.32 Favored Pre-proline 0 C--N 1.312 -1.052 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -81.95 132.19 7.31 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.537 2.158 . . . . 0.0 112.426 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.231 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 37.4 tt0 -78.93 132.63 36.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -129.13 -179.18 2.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.34 166.88 10.62 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 p -72.91 -2.72 21.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.881 0.372 . . . . 0.0 111.67 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -120.6 14.25 11.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.943 0.402 . . . . 0.0 110.758 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -78.7 117.43 19.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.145 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.6 m -80.92 152.58 28.0 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.1 mm -59.93 -29.78 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.024 0.44 . . . . 0.0 110.291 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.74 -44.38 97.02 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.778 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 79.9 mm-40 -71.84 -38.36 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.543 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.38 -39.68 84.09 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -59.32 -51.16 71.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.477 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 26.6 mt-10 -56.55 -50.63 71.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.739 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.0 t -51.89 -52.49 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.382 0.426 . . . . 0.0 111.458 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.58 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -58.19 -55.59 33.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.018 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 17.1 ptpt -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -65.5 -46.71 78.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 110.584 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -79.02 -30.7 44.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.238 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.22 34.09 4.65 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.05 164.98 15.87 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.64 112.9 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.62 2.213 . . . . 0.0 112.2 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.71 64.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.14 -36.85 83.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.6 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 80.7 mm-40 -114.87 23.8 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.265 0.555 . . . . 0.0 110.887 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 31' ' ' ALA . 24.8 tp -96.14 137.05 35.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.63 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -119.59 136.1 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.4 m -106.06 132.0 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.282 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -128.41 132.25 68.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.83 128.24 20.03 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.27 17.06 9.95 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.978 0.511 . . . . 0.0 111.41 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 8.49 67.17 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.793 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.66 170.71 15.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 111.329 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.32 150.17 21.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.119 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 23' ' ' ILE . 80.9 mt -102.08 146.73 27.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.004 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -61.51 121.42 12.67 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.041 176.046 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.574 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p30 -77.98 -31.66 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -85.5 -9.22 57.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' ' 22' ' ' SER . 2.0 t90 -99.59 171.89 7.64 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.692 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -80.91 140.07 35.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.35 0.595 . . . . 0.0 112.598 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.03 -16.65 15.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.675 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -59.8 -43.89 94.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.32 -19.42 36.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.3 m -72.97 -36.98 67.21 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 60.34 91.01 0.06 Allowed 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.951 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 67' ' ' VAL . 73.8 mt -113.81 12.65 18.29 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -93.43 -46.24 7.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.779 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -101.14 -17.21 16.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -84.18 -159.67 0.41 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.784 0.326 . . . . 0.0 111.182 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 4' ' ' PHE . 11.8 tt -91.78 144.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 61' ' ' LEU . 3.9 t -84.88 139.84 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -109.73 124.99 52.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -118.41 118.98 59.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 120.998 0.428 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -117.14 146.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.078 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -102.94 128.45 49.74 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 35.9 ttp180 -127.92 79.46 73.68 Favored Pre-proline 0 C--N 1.317 -0.842 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.34 154.28 45.82 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.442 2.094 . . . . 0.0 113.53 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -122.26 136.09 54.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.415 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 66.58 16.73 10.48 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.55 0.69 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? . . . . . 0 C--O 1.242 0.701 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.963 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 22.8 ptt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -116.01 121.79 68.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.649 0.261 . . . . 0.0 110.395 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -114.83 156.35 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.258 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.91 138.92 32.03 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.2 p -137.89 135.71 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.024 0.44 . . . . 0.0 111.256 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 66' ' ' ILE . 30.5 mtp180 -105.58 121.65 44.41 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.675 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -95.96 150.57 20.31 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.17 131.39 49.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.155 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 m 69.03 22.59 6.89 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.365 0.602 . . . . 0.0 110.78 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -147.28 178.45 8.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.265 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' CG ' ' H ' ' A' ' 12' ' ' GLY . 15.5 t-80 -103.09 -157.2 0.6 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' CG ' ' A' ' 11' ' ' HIS . . . -99.53 118.14 6.09 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.598 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -114.65 148.21 39.83 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.7 127.52 10.28 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.707 2.271 . . . . 0.0 112.91 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 HH11 ' A' ' 33' ' ' ARG . 69.9 t -120.24 118.79 57.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.176 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.48 126.46 31.69 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.773 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 26' ' ' LEU . 30.0 m -128.26 178.76 4.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -107.26 175.23 5.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 p -67.26 -32.89 74.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.31 0.576 . . . . 0.0 110.507 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.34 11.71 38.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.521 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.2 m -68.19 101.59 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 1.8 m -64.06 150.32 45.65 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.0 mm -56.58 -33.66 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.094 0.473 . . . . 0.0 110.108 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.88 -49.25 78.47 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.784 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.0 mt-30 -68.05 -39.98 82.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.868 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HG11 ' A' ' 17' ' ' VAL . 51.3 tp -54.96 -43.42 73.44 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 5.7 ttpm? -53.5 -44.96 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.115 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.45 -27.68 59.01 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.866 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.8 t -66.74 -41.04 87.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.484 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.28 -36.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.014 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.24 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.415 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -66.0 -32.62 74.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.734 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 HH11 HG22 ' A' ' 15' ' ' VAL . 58.5 ttt180 -66.57 -37.47 85.02 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.361 0.6 . . . . 0.0 110.379 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -93.34 -6.47 47.25 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.33 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.15 38.51 96.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.126 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.35 156.72 44.03 Favored Pre-proline 0 C--N 1.316 -0.85 0 O-C-N 122.904 -0.174 . . . . 0.0 110.872 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.17 109.75 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.514 2.142 . . . . 0.0 111.737 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.11 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.368 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.64 -36.07 81.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 45.5 mt-30 -101.28 21.55 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -100.5 140.01 35.37 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -128.74 129.54 45.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.454 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.16 132.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -134.41 127.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.272 0.558 . . . . 0.0 110.969 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 50' ' ' LEU . 86.3 t80 -148.88 141.77 24.71 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 11.32 7.44 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.405 0.441 . . . . 0.0 110.653 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.84 64.04 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.142 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.39 -173.93 3.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.371 0.585 . . . . 0.0 111.739 -178.326 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -79.18 142.0 36.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.198 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 45' ' ' PHE . 85.5 mt -82.95 -166.49 1.35 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.633 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -97.53 96.01 8.02 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.52 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 24.3 m-80 -57.5 -32.44 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.69 4.71 50.72 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' SER . 13.2 t-105 -116.35 168.65 9.95 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.419 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -75.03 156.26 36.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.225 0.536 . . . . 0.0 112.017 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.69 HG23 HD12 ' A' ' 61' ' ' LEU . 12.3 p -80.23 -30.61 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 48.9 tt0 -70.62 -43.39 69.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.148 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.35 -1.81 46.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.064 0.459 . . . . 0.0 110.629 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.22 -1.29 57.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.23 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 14.9 m-20 68.97 11.57 8.38 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.909 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 HG23 ' A' ' 56' ' ' VAL . 61.5 mt -65.79 -16.86 64.19 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.959 0.409 . . . . 0.0 112.086 -177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 25.2 t70 -84.17 -28.45 27.37 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -101.49 -22.78 14.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.082 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 64.6 mm-40 -95.62 -156.1 0.5 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.799 0.333 . . . . 0.0 111.591 -177.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt -90.23 146.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 -176.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 61' ' ' LEU . 7.5 t -82.3 139.52 17.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.241 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -115.82 139.93 49.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.96 0.41 . . . . 0.0 110.529 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.4 124.58 41.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.456 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 148.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 32.1 tt0 -113.24 149.08 34.31 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.986 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 23.2 mmm180 -95.93 97.42 3.03 Favored Pre-proline 0 C--N 1.314 -0.976 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 1.5 Cg_endo -81.41 101.83 1.26 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.568 2.179 . . . . 0.0 113.156 -175.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -81.74 -33.5 30.99 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -123.18 99.83 6.55 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.267 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.102 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.614 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 63.3 ttp . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.95 121.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 120.777 0.322 . . . . 0.0 110.758 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.3 135.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.79 143.08 32.03 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.54 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 12.1 p -141.09 140.17 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-O 121.147 0.498 . . . . 0.0 111.704 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -102.02 103.91 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 61.3 t80 -91.25 142.73 27.4 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.435 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.8 t30 -48.35 -45.58 35.65 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -108.08 29.58 7.17 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.483 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 6.1 t -153.87 -173.61 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -97.65 -171.43 2.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . -82.6 83.34 1.58 Allowed Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.601 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -92.87 152.37 41.53 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.643 0.259 . . . . 0.0 110.875 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -86.92 128.18 2.74 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.487 2.124 . . . . 0.0 112.988 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -110.8 119.5 59.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.965 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.1 119.26 23.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -123.09 165.8 18.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.38 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -94.56 160.93 14.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 49.7 m -68.33 -16.67 64.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.781 0.324 . . . . 0.0 111.599 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.94 13.94 24.44 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.571 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -71.38 108.86 5.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -63.9 152.54 39.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.932 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 54' ' ' TRP . 49.1 mm -62.24 -32.75 55.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 109.943 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.6 t80 -68.38 -40.18 81.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.4 mm-40 -69.06 -37.91 78.77 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.79 -38.36 78.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.896 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -58.75 -46.93 86.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.126 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.698 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 25' ' ' GLN . 98.9 t -57.42 -52.84 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 69' ' ' ILE . 59.3 t -65.62 -40.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.486 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -63.55 -37.99 89.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -67.85 -47.72 68.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -62.37 -48.6 79.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.336 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -80.58 -33.04 36.34 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.524 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.78 44.46 4.51 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.53 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 28.6 m -125.82 157.1 70.1 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.63 119.31 6.32 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 111.387 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.85 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.52 -19.89 24.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 53.7 tp -61.14 131.4 50.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.545 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -106.43 133.08 51.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.319 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.73 130.66 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 111.074 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -129.45 135.28 61.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -138.75 126.57 22.25 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.251 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.82 18.29 9.6 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.11 0.564 . . . . 0.0 111.658 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.47 -0.05 65.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.852 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -126.61 176.11 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.289 . . . . 0.0 110.717 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -113.46 131.39 56.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.41 172.13 14.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.163 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.598 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -98.28 136.18 38.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.251 178.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.0 p30 -62.14 -26.16 68.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.46 10.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.496 ' O ' HG12 ' A' ' 23' ' ' ILE . 17.2 t-105 -109.61 161.32 15.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.49 0.186 . . . . 0.0 110.604 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 2.9 t -95.01 150.95 19.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.797 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 HD22 ' A' ' 61' ' ' LEU . 14.6 p -71.76 -28.02 29.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.735 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.6 tp-100 -71.35 -48.7 48.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -80.68 -2.55 47.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 9.2 t -94.31 -24.71 17.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.53 80.61 0.23 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.343 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.4 HD22 HG23 ' A' ' 56' ' ' VAL . 10.7 mp -102.29 -6.06 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 10.4 t0 -70.7 -44.95 65.91 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -112.12 -176.45 2.93 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.792 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' SEP . 12.7 mm100 63.69 55.07 1.74 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.57 0.543 . . . . 0.0 111.588 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SEP . . . . . 0.423 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -91.45 154.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.426 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 t -81.48 138.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.76 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -114.27 122.14 45.83 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 37.7 mt -122.93 118.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.109 0.48 . . . . 0.0 110.26 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 62.4 t -109.5 133.35 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.082 -177.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 50.0 tp60 -147.06 138.48 24.09 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.893 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -87.85 112.51 49.4 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.94 102.57 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.229 1.953 . . . . 0.0 111.781 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -83.31 -26.98 30.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -127.06 79.85 1.91 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.876 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.367 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.659 0.266 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 59.6 mt -105.25 129.1 58.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.95 146.6 26.82 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.274 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' C ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -81.42 133.67 35.44 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG22 ' HB ' ' A' ' 67' ' ' VAL . 88.5 t -131.94 130.91 61.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.692 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.452 ' HE ' HD13 ' A' ' 66' ' ' ILE . 12.6 ptp180 -109.7 121.47 45.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.026 0.441 . . . . 0.0 110.289 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -96.62 126.88 42.1 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.469 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.53 22.78 13.17 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.363 0.601 . . . . 0.0 110.299 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p 55.31 14.63 1.13 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.238 1.015 . . . . 0.0 112.798 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -90.41 -68.77 0.76 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.017 0.437 . . . . 0.0 111.008 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -114.96 153.97 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.01 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.18 120.81 4.35 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 121.157 -0.544 . . . . 0.0 111.988 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -123.51 150.36 60.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-O 120.601 0.239 . . . . 0.0 110.949 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.3 129.7 7.76 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.473 2.115 . . . . 0.0 112.085 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.78 122.46 68.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.291 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.75 118.66 29.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.113 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.1 158.78 20.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.005 0.431 . . . . 0.0 111.434 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.66 163.09 13.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 p -61.63 -22.85 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.423 . . . . 0.0 111.16 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.94 18.33 17.34 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.2 m -75.01 111.06 9.84 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -72.4 150.27 43.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.76 -34.02 42.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.997 0.427 . . . . 0.0 110.482 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.74 -46.93 86.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.122 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.8 mm-40 -67.79 -43.29 80.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.65 -43.6 80.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.46 -47.07 85.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.966 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.4 -39.27 91.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.3 t -58.1 -49.06 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.67 0.271 . . . . 0.0 110.594 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.21 -37.89 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 92.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.64 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -68.07 -36.79 80.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.667 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.8 tmt_? -58.44 -41.98 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.952 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -91.44 -14.52 30.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.965 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.64 45.88 26.88 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.227 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.5 m -127.59 158.18 70.79 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 122.624 0.37 . . . . 0.0 110.306 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 36.4 Cg_endo -66.88 120.16 7.23 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.437 2.091 . . . . 0.0 111.798 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.69 -19.01 60.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.671 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.71 -45.07 94.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.362 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.29 20.55 12.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.0 tp -97.24 136.18 38.11 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -124.69 132.08 53.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.073 0.463 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.69 133.67 38.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.616 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -123.38 127.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.138 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 83.1 t80 -139.08 124.16 18.94 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.972 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.43 23.76 11.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.416 . . . . 0.0 112.048 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 12.21 63.89 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.308 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 18.6 ptpt -133.02 174.93 9.83 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.0 127.65 53.66 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.0 159.05 31.23 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.617 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -82.81 138.77 33.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.238 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.43 -29.24 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -93.88 62.59 3.17 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.333 0.587 . . . . 0.0 111.087 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 33.7 t-105 -162.89 158.27 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.289 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -79.14 144.16 34.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.283 0.563 . . . . 0.0 112.139 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.58 -28.27 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.405 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.81 -35.7 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.851 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.51 -18.29 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.444 . . . . 0.0 110.763 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.522 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 85.0 m -82.68 -20.68 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 11.7 m-20 58.76 71.95 0.56 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.293 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 10.4 mp -86.15 0.85 52.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.545 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.62 -3.23 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 0.0 110.558 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 15.0 mm100 -78.13 -39.35 41.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.101 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.36 170.46 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 ' HE ' ' A' ' 6' ' ' ARG . 17.2 tt -153.75 145.82 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HB ' HG22 ' A' ' 5' ' ' VAL . 21.5 t -90.84 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 2.1 m80 -107.56 131.95 53.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.1 120.79 41.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.111 0.481 . . . . 0.0 110.508 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -122.15 147.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.855 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' OE1' ' HE2' ' A' ' 76' ' ' LYS . 7.0 tt0 -97.94 142.26 29.9 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -107.71 98.71 25.88 Favored Pre-proline 0 C--N 1.313 -1.004 0 CA-C-O 120.805 0.335 . . . . 0.0 110.505 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 53.8 Cg_exo -57.18 128.61 30.4 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.339 2.693 . . . . 0.0 113.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -97.0 -53.76 3.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.266 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -140.59 32.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.853 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE2' ' OE1' ' A' ' 71' ' ' GLN . 28.7 mtpp . . . . . 0 C--O 1.246 0.886 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.318 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 27.0 ttt . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.38 117.23 54.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.363 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.84 151.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.919 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HB2' HG13 ' A' ' 66' ' ' ILE . 58.0 m-85 -88.88 140.72 29.15 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.088 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -132.24 133.38 60.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 111.513 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HG3' HD13 ' A' ' 66' ' ' ILE . 77.1 mtp180 -110.96 107.8 17.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.557 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HD2' ' H ' ' A' ' 9' ' ' SER . 15.5 t80 -81.81 143.86 31.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 8.1 t30 -53.34 -23.14 8.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.194 0.597 . . . . 0.0 112.424 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.404 ' H ' ' HD2' ' A' ' 7' ' ' PHE . 15.8 m -80.33 29.78 0.29 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m 61.71 32.16 18.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.695 0.398 . . . . 0.0 111.424 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -124.19 111.13 15.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.325 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.43 118.2 4.31 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 7.0 p90 -140.08 159.51 63.94 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 116.692 0.246 . . . . 0.0 110.916 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.05 128.94 6.67 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.761 2.307 . . . . 0.0 111.451 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CE1' ' A' ' 13' ' ' PHE . 58.3 t -109.19 122.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.62 113.72 26.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.547 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.26 -179.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -98.31 175.32 6.1 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.998 0.427 . . . . 0.0 110.713 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 6.1 p -80.31 -3.46 49.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 110.522 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -115.26 14.15 16.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.9 m -79.41 102.54 8.77 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 121.142 0.496 . . . . 0.0 110.998 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 7.3 m -66.49 152.66 44.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 47.4 mm -57.22 -31.86 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 59.5 t80 -63.84 -47.03 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.396 0.617 . . . . 0.0 109.421 176.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm100 -66.25 -38.91 89.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.445 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -54.25 -45.97 72.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.73 -46.09 88.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.62 -34.14 76.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.153 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.0 t -61.0 -47.99 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.035 0.445 . . . . 0.0 109.808 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.67 -38.44 80.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.7 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.56 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -75.27 -24.67 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.362 . . . . 0.0 110.988 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.187 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -94.72 -19.3 20.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.617 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.59 46.83 6.23 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.736 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.48 154.05 62.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.471 0.177 . . . . 0.0 110.594 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.43 115.65 3.64 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.602 2.201 . . . . 0.0 111.826 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.26 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.986 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 0.0 110.475 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.05 26.28 10.57 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.732 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.0 tp -122.11 142.97 49.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.726 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -133.77 136.49 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 0.0 111.472 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.04 134.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.395 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.9 135.91 62.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.288 0.566 . . . . 0.0 111.216 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 50' ' ' LEU . 88.9 t80 -152.28 128.27 10.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.268 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.56 21.88 12.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.364 0.415 . . . . 0.0 111.882 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.99 -3.0 76.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.087 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -126.15 -175.66 3.43 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.56 140.98 39.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.565 ' HB2' HG21 ' A' ' 23' ' ' ILE . 86.6 mt -76.42 150.82 36.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.38 0.609 . . . . 0.0 111.843 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 9.2 ptm180 -61.77 108.89 1.08 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.519 -1.219 . . . . 0.0 110.388 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.5 p30 -60.45 -22.54 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.215 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.09 -18.52 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.546 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.509 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 17.4 t-105 -93.22 157.67 16.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.761 0.315 . . . . 0.0 111.747 -175.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 4.4 t -86.09 145.74 26.92 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.812 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.47 -29.2 30.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.99 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.592 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -63.92 -54.15 39.21 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.53 -176.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -71.31 -19.71 62.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.594 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.4 -15.71 59.88 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.038 0.447 . . . . 0.0 110.317 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.6 m-20 54.84 50.49 15.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.159 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.22 -27.31 63.81 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.975 0.417 . . . . 0.0 110.784 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.37 -26.89 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.887 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -102.65 7.14 39.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.958 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 75.8 mm-40 -120.15 -154.78 0.59 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SEP . . . . . 0.457 ' HA ' ' O2P' ' A' ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.1 tt -91.16 148.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 120.914 0.387 . . . . 0.0 110.706 -177.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 5' ' ' VAL . 58.6 t -84.28 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -116.31 151.33 36.07 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.6 mt -139.11 123.09 19.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.933 0.397 . . . . 0.0 110.56 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -107.17 144.0 16.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.31 121.19 41.45 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -127.31 86.65 58.18 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-O 120.939 0.399 . . . . 0.0 111.01 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -95.25 159.49 1.64 Allowed 'Trans proline' 0 N--CA 1.435 -1.962 0 C-N-CA 122.768 2.312 . . . . 0.0 111.659 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.7 m-90 -82.04 80.79 8.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.914 0.388 . . . . 0.0 110.625 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 57.71 81.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.446 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.487 177.191 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.473 HG12 ' HG2' ' A' ' 16' ' ' GLU . 77.8 mt -100.03 117.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.08 155.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' C ' HG13 ' A' ' 66' ' ' ILE . 76.3 m-85 -92.18 130.02 37.99 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.78 129.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.264 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -114.89 119.45 36.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.149 0.499 . . . . 0.0 109.723 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -91.29 145.93 24.24 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.38 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.01 30.86 3.0 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.368 1.067 . . . . 0.0 112.909 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m 65.95 20.67 11.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.455 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -87.16 -152.49 0.19 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -75.05 159.98 31.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.863 0.364 . . . . 0.0 110.809 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.86 130.76 10.47 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.682 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -116.61 154.86 49.28 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.4 125.49 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.729 2.286 . . . . 0.0 112.522 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -112.92 117.03 54.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.815 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 2' ' ' ILE . 2.1 tm-20 -90.69 113.75 25.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.192 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.26 -174.33 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.444 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -94.21 168.22 11.05 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.5 ' HB3' ' OE1' ' A' ' 57' ' ' GLN . 66.3 m -83.27 7.76 15.43 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.491 0.662 . . . . 0.0 109.653 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.97 4.23 8.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.971 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -67.73 114.91 6.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 15.9 m -69.46 148.67 49.22 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 50.2 mm -54.58 -36.68 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 56.3 t80 -64.57 -41.97 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 0.0 110.232 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.4 mt-30 -65.17 -41.96 94.13 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.376 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.235 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.14 -40.28 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.049 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.9 -35.55 80.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.9 t -64.95 -49.9 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.259 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.87 -36.68 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.22 60.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.384 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -29.6 64.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -64.38 -38.89 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.241 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.02 -20.15 16.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.766 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.56 45.83 5.39 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.1 m -123.94 157.5 63.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 C-N-CA 122.2 0.2 . . . . 0.0 110.565 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 43.6 Cg_endo -69.53 113.66 3.41 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.414 2.076 . . . . 0.0 112.063 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -28.45 68.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.896 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.74 -40.89 79.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.154 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 96.8 mt-30 -94.69 16.36 15.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.545 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.56 136.84 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.701 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -122.84 131.12 53.61 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.568 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.38 116.15 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.158 0.504 . . . . 0.0 110.61 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.97 136.39 54.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.306 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -128.25 107.23 9.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.46 -63.58 0.34 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.973 0.796 . . . . 0.0 111.187 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.03 2.22 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -120.76 179.0 4.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.353 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -121.93 131.13 53.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' HG21 ' A' ' 23' ' ' ILE . 27.7 mt -71.4 142.09 50.32 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.852 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -57.8 113.31 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.701 177.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 p-10 -56.7 -33.01 66.04 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.74 17.36 19.51 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.605 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 6.7 t90 -117.69 166.47 12.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.148 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -68.95 144.32 54.19 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.509 HG23 HD12 ' A' ' 61' ' ' LEU . 14.7 p -79.09 -20.75 12.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.416 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.5 ' OE1' ' HB3' ' A' ' 19' ' ' SER . 24.3 tt0 -58.69 -47.17 85.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 13.4 t-20 -85.05 8.06 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.333 0.587 . . . . 0.0 110.903 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' A' ' 23' ' ' ILE . 84.4 m -93.29 -15.76 25.46 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.38 38.14 27.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.578 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.512 HD13 ' CG2' ' A' ' 67' ' ' VAL . 51.0 mt -71.83 2.83 4.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.439 0.638 . . . . 0.0 111.109 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.01 -18.43 13.36 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.479 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -107.34 -51.73 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.22 -68.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.0 tt -92.09 154.49 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.498 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.2 t -88.16 132.64 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -106.68 108.59 20.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.15 119.92 53.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.29 0.567 . . . . 0.0 111.548 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.88 140.05 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.818 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -116.91 143.3 45.86 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.373 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -129.22 76.6 78.81 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-O 121.001 0.429 . . . . 0.0 110.029 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 69.0 Cg_endo -93.4 164.37 2.4 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 123.161 2.574 . . . . 0.0 111.993 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -109.39 -18.96 13.43 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.152 0.501 . . . . 0.0 110.085 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -136.73 93.45 2.86 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.185 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.355 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 87.2 mt -82.94 112.1 20.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 62' ' ' ASP . 34.5 m -101.68 168.23 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.302 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' C ' HG13 ' A' ' 66' ' ' ILE . 28.2 m-85 -104.46 125.3 50.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.126 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 67' ' ' VAL . 94.7 t -132.25 142.84 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.654 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -130.3 122.17 27.46 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.369 0.604 . . . . 0.0 110.842 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -87.25 152.25 22.46 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -51.79 -25.27 7.29 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -101.94 15.99 27.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -140.31 174.44 10.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -96.68 -52.42 3.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.332 0.587 . . . . 0.0 110.048 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 129.74 1.3 Allowed Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.658 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -139.13 143.11 35.35 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-O 120.771 0.32 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.57 137.55 14.64 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.363 2.042 . . . . 0.0 111.938 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.75 119.25 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.972 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 41.7 tt0 -84.42 111.97 19.94 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.95 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.24 174.39 4.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.07 162.26 28.69 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 m -62.0 -25.97 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.376 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 70.84 1.08 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.954 0.883 . . . . 0.0 111.326 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -103.83 107.39 18.24 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.038 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -61.27 144.66 53.44 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.538 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 44.8 mm -54.1 -32.38 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 120.797 0.332 . . . . 0.0 111.184 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.8 t80 -62.44 -48.96 77.36 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.069 0.461 . . . . 0.0 110.03 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.0 mm100 -67.03 -39.43 86.99 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.446 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.44 -41.75 76.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.25 -42.71 91.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.038 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.32 -31.82 66.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.955 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -59.45 -46.72 92.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.99 0.424 . . . . 0.0 110.402 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.96 -39.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.225 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.99 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.614 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -66.61 -40.36 88.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.258 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -61.6 -37.86 85.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.912 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -94.6 -11.7 28.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.899 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 45.21 66.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.64 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.95 156.78 61.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.55 0.214 . . . . 0.0 110.783 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.7 125.0 11.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.291 1.994 . . . . 0.0 111.729 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.16 48.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.486 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.94 -51.61 31.37 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.083 0.468 . . . . 0.0 110.344 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -90.64 11.3 22.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.723 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -95.67 135.2 37.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.213 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -121.48 141.07 51.38 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.887 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 HG12 ' A' ' 69' ' ' ILE . 34.8 m -118.02 130.99 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 39.8 mm -124.65 132.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 75.6 t80 -151.4 135.72 16.83 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.0 18.68 4.87 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -5.97 79.32 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.285 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -170.31 3.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.58 151.05 20.35 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.399 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -97.66 159.1 15.13 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.061 0.458 . . . . 0.0 110.911 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' HB2' ' A' ' 54' ' ' TRP . 7.8 ptm180 -63.46 122.84 17.24 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.636 175.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p30 -66.54 -22.34 66.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -92.47 17.42 10.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 23.8 t-105 -119.59 150.73 39.81 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.149 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -73.05 150.22 42.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.848 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.17 -31.1 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.591 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' SER . 26.3 tp60 -60.77 -34.46 74.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.293 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -81.69 -17.3 48.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.56 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.531 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 61.1 m -97.47 -16.24 20.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 57.45 64.32 1.62 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD23 HG22 ' A' ' 67' ' ' VAL . 10.2 mp -83.2 8.52 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 110.765 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' HB3' HG12 ' A' ' 3' ' ' VAL . 8.0 p-10 -115.07 0.53 13.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.982 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -119.16 -64.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.172 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.47 -84.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 4' ' ' PHE . 17.0 tt -98.88 151.43 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 HD23 ' A' ' 61' ' ' LEU . 13.5 t -80.89 111.04 17.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 4.0 m80 -84.26 110.33 18.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.332 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.418 HG12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -114.38 128.59 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 120.977 0.418 . . . . 0.0 111.511 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -133.2 154.26 39.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.931 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -136.59 147.85 47.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -121.25 88.08 45.18 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-O 121.336 0.589 . . . . 0.0 110.989 177.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 -178.63 2.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.99 2.46 . . . . 0.0 112.401 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CH2' ' HD3' ' A' ' 75' ' ' ARG . 74.3 t90 -135.29 110.25 8.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.988 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HD3' ' CH2' ' A' ' 74' ' ' TRP . 63.3 mtp180 59.61 40.39 20.22 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.807 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.068 177.816 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.936 0.398 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.47 118.11 49.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 13.1 m -104.0 156.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.496 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -101.96 138.83 38.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.886 0.374 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.87 129.5 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-O 121.487 0.66 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -106.45 101.92 11.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.681 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.86 121.24 25.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.68 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.36 22.94 13.56 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.4 0.619 . . . . 0.0 109.812 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m 66.7 14.1 9.63 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.483 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -91.8 120.36 32.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.6 m80 64.37 -79.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.09 81.38 1.29 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 26.5 p90 -94.34 154.44 40.35 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-O 120.688 0.28 . . . . 0.0 111.501 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 1.2 Cg_endo -86.67 135.32 4.14 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.032 2.488 . . . . 0.0 112.43 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.87 130.71 74.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.343 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.93 133.16 34.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.041 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.42 172.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.86 168.26 9.4 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 p -64.96 -19.19 65.84 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.12 7.24 21.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.678 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -64.24 111.47 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 111.136 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 22.9 m -72.71 153.66 41.06 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.944 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.31 -33.81 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.036 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 67.2 t80 -60.45 -46.5 89.84 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.986 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.7 mm100 -64.62 -44.58 90.09 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.135 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 tp -57.5 -42.05 81.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.98 -46.02 89.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.869 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.15 -39.68 93.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.369 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.0 t -59.01 -48.03 88.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.998 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.61 -37.96 75.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -53.52 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.672 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 62.8 pttt -66.63 -30.15 70.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.93 -31.12 69.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -101.41 -3.17 29.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.388 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.62 34.0 63.31 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.664 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.97 157.55 48.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 O-C-N 122.654 -0.321 . . . . 0.0 111.021 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.94 127.79 12.53 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.338 2.025 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.42 45.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 111.15 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.2 -35.02 75.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.636 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -107.59 25.68 11.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.31 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.3 tp -103.96 137.86 41.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.48 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -107.34 139.48 41.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.226 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 m -120.68 118.31 56.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.224 0.535 . . . . 0.0 110.939 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -122.23 136.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -145.54 126.6 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.612 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.15 25.17 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.418 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.36 -8.55 77.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.131 -0.557 . . . . 0.0 113.526 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.53 35.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.123 0.461 . . . . 0.0 111.772 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.55 140.25 39.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -87.06 133.95 33.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.63 133.37 54.77 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.07 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.5 p30 -65.4 -28.95 69.62 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -102.62 73.01 1.27 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.57 0.7 . . . . 0.0 111.171 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 22' ' ' SER . 57.7 t-105 -157.44 150.68 23.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.524 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -78.17 138.67 38.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.501 0.667 . . . . 0.0 111.908 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG22 HD23 ' A' ' 61' ' ' LEU . 10.2 p -74.8 -22.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.571 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 17.5 tp60 -68.02 -42.68 80.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 -176.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.87 -6.52 49.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 111.099 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -88.43 -16.71 32.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.649 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 11.5 m-20 49.76 51.63 16.14 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . 3.4 mm? -61.06 -24.09 65.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.722 0.296 . . . . 0.0 111.277 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.28 -32.0 73.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -99.6 -37.4 9.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.25 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 67.6 mm-40 -78.46 -160.39 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 0.0 111.152 -177.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt -90.62 150.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.669 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.92 129.4 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.724 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -100.7 108.54 20.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.027 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -116.23 124.43 72.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -135.4 148.63 28.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.444 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 40.5 tt0 -98.99 139.14 35.09 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.396 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -108.78 96.78 21.07 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 10.8 Cg_exo -71.0 96.14 0.68 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.403 2.068 . . . . 0.0 111.925 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -70.7 -20.71 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.491 0.663 . . . . 0.0 109.633 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.01 98.49 5.92 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.65 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HD3' ' OXT' ' A' ' 76' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.309 -1.159 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.488 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.63 123.0 48.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 62' ' ' ASP . 32.8 m -111.66 165.97 6.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -111.6 137.33 49.6 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.467 HG12 ' HB ' ' A' ' 67' ' ' VAL . 34.5 m -134.49 145.32 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-O 121.309 0.576 . . . . 0.0 111.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -104.3 147.94 26.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.636 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 21.0 t80 -130.2 143.12 50.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' VAL . 5.5 p-10 -60.18 -23.38 63.93 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -103.58 12.49 34.9 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -153.97 -167.24 2.6 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.5 -74.29 0.55 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.94 140.2 5.19 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -139.85 150.62 63.26 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.985 0.393 . . . . 0.0 111.541 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -80.29 139.79 13.36 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.732 2.288 . . . . 0.0 112.13 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.48 127.03 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.72 116.12 23.06 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.24 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.525 HG11 HD13 ' A' ' 26' ' ' LEU . 18.7 m -125.21 174.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.69 176.21 5.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.967 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -70.18 -35.1 73.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.906 0.384 . . . . 0.0 111.23 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -97.04 10.95 37.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -66.89 116.38 7.69 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.274 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -71.13 150.44 45.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.8 mm -60.61 -38.87 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.188 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.64 -40.82 96.11 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 mm100 -66.26 -39.87 89.78 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.984 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HG11 ' A' ' 17' ' ' VAL . 35.1 tp -59.97 -48.59 81.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.44 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 41' ' ' LEU . 39.4 ttpt -60.98 -37.46 82.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 109.613 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -65.5 -43.08 91.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.154 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 25' ' ' GLN . 84.0 t -60.99 -48.6 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.59 -36.77 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.865 0.364 . . . . 0.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.73 31.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.148 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 48.5 pttt -66.24 -30.43 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.276 . . . . 0.0 111.238 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -63.76 -47.45 80.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.838 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -82.61 -15.53 51.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.95 29.46 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.72 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -118.35 163.0 27.35 Favored Pre-proline 0 C--N 1.317 -0.832 0 C-N-CA 122.285 0.234 . . . . 0.0 110.414 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.08 119.05 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.671 2.248 . . . . 0.0 112.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.77 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.83 -52.99 61.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.365 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -106.19 32.18 4.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.296 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 30.1 tp -96.69 130.82 43.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -116.4 122.52 45.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.901 0.381 . . . . 0.0 111.274 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 69' ' ' ILE . 18.9 m -100.79 119.98 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -115.7 128.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 0.0 111.217 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -133.7 122.15 22.97 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.224 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.19 15.57 8.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.124 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.63 -2.52 49.32 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.26 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -132.15 170.33 15.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.968 0.384 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.29 136.66 39.83 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 61' ' ' LEU . 75.6 mt -71.28 154.02 41.95 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.554 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 54' ' ' TRP . 5.4 ptm180 -65.32 108.56 1.97 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.712 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p30 -65.83 -21.04 66.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.421 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.96 4.97 48.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.521 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.2 t-105 -115.1 177.23 4.73 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.654 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -83.94 160.59 21.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.115 0.566 . . . . 0.0 111.619 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.38 -38.05 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.21 -32.51 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.979 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -67.99 -17.14 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.0 110.174 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.9 t -88.38 -15.58 35.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.187 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 56.37 47.14 19.62 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.597 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mm? -51.54 -56.24 14.57 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' HG12 ' A' ' 3' ' ' VAL . 27.0 t70 -62.2 -26.0 68.11 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.048 0.452 . . . . 0.0 111.818 -177.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.77 11.12 30.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -128.03 -71.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PHE . 19.6 tt -91.55 141.76 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' HG12 ' A' ' 5' ' ' VAL . 18.0 t -86.01 136.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.639 0.256 . . . . 0.0 110.586 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -99.94 107.99 20.11 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 39.1 mt -105.77 119.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-O 121.117 0.484 . . . . 0.0 110.933 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' ' 8' ' ' ASN . 34.9 m -124.65 137.65 56.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.8 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -107.99 153.46 23.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.878 0.37 . . . . 0.0 110.527 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -145.26 92.77 5.57 Favored Pre-proline 0 C--N 1.313 -0.992 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.631 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.17 94.79 0.36 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.712 2.275 . . . . 0.0 112.885 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -61.62 -64.48 0.93 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.497 0.665 . . . . 0.0 109.519 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -128.42 26.45 5.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.467 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt . . . . . 0 C--O 1.242 0.677 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.677 -178.87 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.091 0.472 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.86 113.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.57 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.44 157.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.04 136.46 34.3 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.682 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB ' ' A' ' 67' ' ' VAL . 46.6 t -133.53 130.23 56.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.689 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 57.0 mtp180 -103.68 103.2 13.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.313 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -80.95 134.72 35.76 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 66.55 16.17 10.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.468 0.707 . . . . 0.0 109.345 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t 65.93 20.22 11.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.556 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -92.55 -146.24 0.22 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.597 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.7 142.08 50.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.893 0.378 . . . . 0.0 111.525 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.29 126.95 8.88 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.552 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -120.51 147.17 44.84 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.7 132.0 22.5 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.473 2.115 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -117.71 125.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.394 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.82 121.86 35.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.88 0.372 . . . . 0.0 111.316 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.87 171.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.455 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.44 168.99 12.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.8 p -64.2 -39.32 93.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.231 0.539 . . . . 0.0 111.63 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.0 17.3 8.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.076 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.08 123.89 23.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.051 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 84.0 p -79.13 160.96 26.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 50' ' ' LEU . 48.9 mm -60.68 -30.11 46.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.893 0.378 . . . . 0.0 110.61 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 76.3 t80 -66.56 -46.67 75.29 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 mt-30 -61.58 -44.04 97.75 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.04 -44.56 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.418 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.42 -37.26 86.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.1 t -61.44 -46.1 97.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 110.092 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.74 -37.59 69.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.469 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -51.99 67.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.177 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -69.16 -28.4 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 110.656 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -65.95 -33.33 75.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.852 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -102.21 -7.1 22.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.144 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.75 41.95 81.32 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.855 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.83 161.79 44.57 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.107 0.163 . . . . 0.0 110.804 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.59 127.65 9.75 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.669 2.246 . . . . 0.0 111.697 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.0 -13.5 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.31 -58.33 8.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.116 0.484 . . . . 0.0 110.592 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -92.86 19.87 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.566 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.2 tp -92.98 125.61 37.66 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.483 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -105.97 132.97 51.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.543 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.21 127.47 67.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.5 mm -124.48 126.15 71.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 111.023 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 88.8 t80 -135.9 120.0 17.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.65 21.28 9.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.11 0.481 . . . . 0.0 110.982 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.6 11.73 70.78 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.936 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -142.93 159.99 41.19 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.14 148.05 25.37 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' ' 23' ' ' ILE . 90.3 mt -95.92 157.23 15.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.288 0.566 . . . . 0.0 111.574 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 51' ' ' ARG . 7.9 ptm180 -61.07 117.69 5.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.947 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 4.0 p-10 -57.93 -29.82 65.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.5 79.68 1.27 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.396 0.617 . . . . 0.0 111.533 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 48.5 t-105 -165.13 143.25 6.25 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.734 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -59.45 128.37 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.276 0.56 . . . . 0.0 112.17 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG23 HD22 ' A' ' 61' ' ' LEU . 11.9 p -68.48 -25.0 30.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.26 -42.36 84.01 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.605 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -19.66 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 75.8 m -77.61 -17.59 57.65 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.49 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 68.64 27.77 5.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.048 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG23 ' A' ' 56' ' ' VAL . 10.4 mp -64.09 -17.11 63.1 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.33 -40.18 64.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.192 0.52 . . . . 0.0 110.231 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -88.97 -32.23 17.74 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.184 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 65' ' ' SEP . 78.5 mm-40 -83.97 -163.6 0.8 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SEP . . . . . 0.459 ' H ' ' HB3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.5 tt -91.03 147.43 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.912 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' HB ' HG22 ' A' ' 5' ' ' VAL . 8.2 t -87.26 132.78 31.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.905 -177.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.483 ' NE2' ' HD3' ' A' ' 6' ' ' ARG . 12.3 m-70 -106.19 108.27 19.69 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.3 mt -109.48 117.9 55.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.3 t -113.94 136.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 120.787 0.327 . . . . 0.0 110.726 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -95.63 134.02 39.01 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HD3' ' HE1' ' A' ' 74' ' ' TRP . 57.0 ttt180 -103.09 106.56 51.57 Favored Pre-proline 0 C--N 1.309 -1.153 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.89 105.19 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.232 2.622 . . . . 0.0 113.572 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.416 ' HE1' ' HD3' ' A' ' 72' ' ' ARG . 49.7 m95 -113.94 -32.16 6.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.349 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -117.97 15.12 14.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.409 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm . . . . . 0 C--O 1.242 0.692 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.072 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 25.9 ttt . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 120.937 0.399 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.3 mt -96.26 119.65 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -118.09 150.56 20.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -93.3 140.15 29.87 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.41 138.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.133 0.492 . . . . 0.0 111.754 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 92.9 mtt180 -110.44 116.88 32.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.754 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -91.28 151.91 20.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.052 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.529 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.9 t30 -46.37 120.39 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.807 0.843 . . . . 0.0 112.302 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 66.63 15.2 10.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.051 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -127.36 -175.94 3.59 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -109.07 -175.49 2.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.75 0.309 . . . . 0.0 111.344 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.72 129.36 9.09 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.442 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -134.0 145.6 56.45 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.89 135.83 10.21 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.35 2.033 . . . . 0.0 112.687 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.12 123.01 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.396 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.41 109.58 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.527 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 26' ' ' LEU . 27.1 m -112.86 164.38 8.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.51 156.95 16.12 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 m -64.31 -9.41 17.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.86 7.87 12.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.204 0.526 . . . . 0.0 111.07 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.34 108.06 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.414 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 155.63 40.09 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.021 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.4 mm -56.46 -36.92 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 120.866 0.365 . . . . 0.0 110.697 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 71.9 t80 -62.21 -45.32 93.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.988 176.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.0 mm-40 -63.18 -43.85 97.07 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.36 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 HG11 ' A' ' 17' ' ' VAL . 41.6 tp -57.29 -44.35 83.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.064 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpp -61.14 -42.73 99.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.142 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.39 -37.14 82.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.175 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.9 t -59.98 -51.04 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.05 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.737 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 59.6 pttt -65.44 -34.62 78.72 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.502 0.191 . . . . 0.0 111.471 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -61.55 -42.78 99.33 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -94.16 -7.25 42.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.53 40.41 59.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.353 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.73 154.45 48.05 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.27 115.99 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.415 2.077 . . . . 0.0 112.076 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.85 64.89 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -71.99 -21.82 61.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 81.6 mm-40 -107.74 10.91 28.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.523 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.96 137.5 42.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.568 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -123.88 133.1 53.83 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.349 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.51 128.9 62.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.093 0.473 . . . . 0.0 110.71 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.95 119.58 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.776 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 76.6 t80 -117.55 116.45 27.13 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.91 20.42 12.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.196 0.522 . . . . 0.0 111.34 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.18 4.12 69.07 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.001 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -129.47 171.81 12.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.134 0.492 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.2 143.02 36.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.974 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 mt -98.43 -166.8 1.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.732 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -101.83 122.82 44.7 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.9 p-10 -56.2 -36.08 68.01 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -173.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.51 17.8 10.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.425 ' CB ' ' HG2' ' A' ' 51' ' ' ARG . 22.6 t-105 -110.96 150.79 28.73 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.948 -0.47 . . . . 0.0 110.469 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.67 148.68 51.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.49 0.662 . . . . 0.0 112.233 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' CG2' HD22 ' A' ' 61' ' ' LEU . 11.9 p -74.25 -24.36 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.5 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -63.69 -57.77 8.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.005 -178.519 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -64.62 -17.61 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.257 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.0 m -80.37 -8.18 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.154 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 51.06 58.55 5.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.62 0.768 . . . . 0.0 112.795 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -70.3 -57.79 4.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.737 0.303 . . . . 0.0 111.13 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.08 -35.63 59.78 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.305 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -75.29 -38.34 60.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.216 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -92.84 -76.4 0.47 Allowed 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.6 tt -91.0 147.3 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.243 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG21 HD23 ' A' ' 61' ' ' LEU . 13.0 t -85.6 139.17 17.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -112.4 108.2 17.27 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.55 118.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 121.044 0.449 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 8.8 p -120.36 135.85 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.971 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -104.17 120.1 40.4 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.8 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.31 89.3 45.05 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.772 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 5.4 Cg_exo -73.65 115.38 4.31 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.732 2.288 . . . . 0.0 112.851 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -80.76 -25.42 37.97 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 75' ' ' ARG . 4.8 tpm_? -156.56 100.76 1.97 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.486 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.814 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.933 0.397 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -99.19 122.3 50.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.0 147.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' C ' HG13 ' A' ' 66' ' ' ILE . 93.9 m-85 -92.38 129.08 38.41 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.317 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -139.63 135.35 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.414 0.626 . . . . 0.0 112.409 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 89.0 mtt180 -107.89 108.92 20.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.055 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -80.57 127.13 32.1 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.4 t30 65.1 15.71 10.15 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.631 0.582 . . . . 0.0 109.612 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m 58.58 29.72 18.84 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.966 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -67.01 -79.21 0.05 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.113 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -132.43 -58.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.79 131.16 3.32 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.584 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -137.87 149.92 65.94 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.19 112.3 0.57 Allowed 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.816 2.344 . . . . 0.0 112.968 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -99.14 124.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.035 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.89 117.39 30.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -124.17 -179.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.355 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -92.52 172.06 8.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -63.8 -37.32 86.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.116 0.484 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.03 69.24 1.3 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.498 0.666 . . . . 0.0 109.628 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -119.75 111.83 18.5 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.136 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 21.4 m -73.12 151.12 41.73 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -57.03 -34.13 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.53 -49.69 75.52 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.176 0.513 . . . . 0.0 109.847 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.7 mt-30 -65.62 -43.14 90.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.366 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.37 -42.58 82.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -60.66 -45.04 95.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.937 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -68.11 -33.42 74.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.959 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -62.96 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 110.18 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -37.19 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.155 0.503 . . . . 0.0 110.17 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.02 83.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.62 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.94 -30.58 69.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.368 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -65.4 -51.53 59.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.677 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -82.92 -13.94 55.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.608 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.63 47.69 14.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.714 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.555 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.9 m -126.03 154.85 73.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 C-N-CA 122.126 0.17 . . . . 0.0 110.646 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.25 112.18 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.768 2.312 . . . . 0.0 112.309 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB1' ' OE1' ' A' ' 28' ' ' GLU . . . -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.63 -31.09 69.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -102.23 21.06 15.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.32 144.85 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.737 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -131.18 134.91 46.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.445 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.6 m -102.98 123.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.004 0.431 . . . . 0.0 111.975 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -119.21 131.54 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.08 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -119.73 110.56 16.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.66 -66.25 0.25 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.747 0.819 . . . . 0.0 111.636 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.02 17.38 0.22 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.689 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 164.62 33.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.17 159.68 14.77 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.778 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.46 151.47 24.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 152.98 43.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -81.33 -26.53 35.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.942 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.84 74.36 1.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.567 0.699 . . . . 0.0 111.294 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.0 t-105 -165.73 148.87 7.73 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.53 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 t -80.47 143.65 33.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.312 0.577 . . . . 0.0 111.804 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG23 HD22 ' A' ' 61' ' ' LEU . 11.2 p -73.54 -24.83 20.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.9 -45.9 90.35 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.431 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -16.08 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 -178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.8 m -87.71 -22.91 24.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 59.2 48.17 10.73 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.305 0.642 . . . . 0.0 112.416 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 56' ' ' VAL . 6.5 mp -71.65 0.33 8.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.027 0.442 . . . . 0.0 111.438 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.23 -19.92 19.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -106.83 -34.59 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.39 -165.72 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.552 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 18.5 tt -90.06 147.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.173 0.511 . . . . 0.0 111.148 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG21 HD23 ' A' ' 61' ' ' LEU . 7.4 t -85.59 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.209 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -118.59 107.52 13.84 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.5 mt -95.56 119.15 43.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -106.41 135.0 46.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.555 HE22 ' HB ' ' A' ' 36' ' ' VAL . 20.2 tt0 -106.62 125.61 51.22 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.39 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -115.93 89.25 23.82 Favored Pre-proline 0 C--N 1.312 -1.039 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -71.68 150.17 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.719 2.28 . . . . 0.0 113.49 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -93.78 -49.93 5.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.776 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -139.73 96.54 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.385 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.866 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.107 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.54 0.21 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.9 mt -110.19 110.7 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.03 162.62 3.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 39.7 m-85 -105.19 143.26 33.62 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.83 139.65 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.891 0.377 . . . . 0.0 111.691 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HG3' HD13 ' A' ' 66' ' ' ILE . 82.7 mtp180 -109.6 97.41 6.97 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -83.44 141.88 31.37 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.83 14.76 9.42 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.545 0.688 . . . . 0.0 109.742 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t 64.01 19.15 11.62 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.26 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m -88.99 -158.8 0.52 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.482 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -61.73 137.9 58.28 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.84 0.353 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 66' ' ' ILE . . . -79.01 137.64 19.57 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.964 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -123.89 147.72 54.68 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.19 131.33 12.86 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.688 2.259 . . . . 0.0 113.173 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.48 119.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.242 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.17 125.92 30.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.811 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 26' ' ' LEU . 27.0 m -128.94 158.93 41.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.26 160.47 18.43 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -69.25 -24.64 64.02 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.93 -0.5 57.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -70.67 120.8 16.82 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -80.64 156.25 26.46 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.3 mm -56.47 -38.56 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.733 0.302 . . . . 0.0 110.664 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.4 t80 -59.22 -44.27 92.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.1 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 mm-40 -66.46 -48.08 71.05 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 17' ' ' VAL . 24.8 tp -56.24 -43.56 78.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 86.7 tttt -57.58 -47.58 81.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.027 177.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.17 -37.44 78.18 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.733 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.6 t -59.23 -49.87 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.568 0.223 . . . . 0.0 110.849 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.57 -45.6 98.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.174 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -63.1 -44.61 95.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.33 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -65.79 -41.24 92.22 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.276 0.63 . . . . 0.0 110.778 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -61.91 -45.07 95.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.737 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -85.37 -21.54 28.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.625 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 43.37 6.08 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.955 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.78 154.6 55.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.38 117.57 4.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.483 2.122 . . . . 0.0 111.95 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -76.19 -25.36 55.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.08 -15.64 63.02 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -117.2 17.64 14.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.573 0.701 . . . . 0.0 109.656 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 31' ' ' ALA . 28.1 tp -101.35 144.39 30.22 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.301 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.436 HH11 HG13 ' A' ' 44' ' ' ILE . 6.3 tmm_? -131.04 131.8 44.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.603 0.24 . . . . 0.0 111.024 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 m -107.16 143.99 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.353 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 HH11 ' A' ' 42' ' ' ARG . 25.7 mm -134.93 132.32 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.126 0.488 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -137.92 115.21 11.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.135 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.52 17.41 10.64 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.328 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.36 -14.79 47.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.422 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 155.02 33.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.094 0.447 . . . . 0.0 111.723 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.7 146.66 28.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.071 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' HB2' HG21 ' A' ' 23' ' ' ILE . 72.3 mt -87.31 151.86 22.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 -178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.552 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.67 122.26 17.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.743 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 29.3 p-10 -62.71 -46.66 87.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -87.53 57.76 4.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.962 0.411 . . . . 0.0 112.051 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -149.78 149.95 31.3 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.5 p -61.31 143.91 54.85 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.38 0.672 . . . . 0.0 111.793 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.18 -19.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.023 0.44 . . . . 0.0 110.103 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.7 -35.81 81.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -86.86 14.25 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.24 115.29 23.32 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -69.41 50.41 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.882 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.58 -25.95 54.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.062 0.458 . . . . 0.0 110.295 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -87.32 -29.26 21.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.643 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -82.39 -29.04 31.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.586 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' HB3' ' H ' ' A' ' 65' ' ' SEP . 16.1 mm-40 -102.4 -155.99 0.54 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.112 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SEP . . . . . 0.412 ' H ' ' HB3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.3 tt -89.98 147.57 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.824 -176.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 t -87.36 136.07 23.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.897 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -103.59 139.8 38.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.794 0.33 . . . . 0.0 110.852 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 41' ' ' LEU . 22.9 mt -135.48 129.61 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.487 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.02 138.93 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -96.03 130.56 43.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.036 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 72' ' ' ARG . 17.5 tpt180 -143.94 86.65 8.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.889 0.376 . . . . 0.0 110.445 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -99.23 126.35 0.16 Allowed 'Trans proline' 0 N--CA 1.442 -1.512 0 C-N-CA 123.199 2.6 . . . . 0.0 113.737 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -88.79 107.64 19.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.794 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 56.8 76.33 0.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.256 0.55 . . . . 0.0 111.202 -177.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.906 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.481 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.623 0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' ' 16' ' ' GLU . 70.2 mt -101.47 121.86 52.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.458 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.07 146.15 20.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 120.723 0.297 . . . . 0.0 110.352 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CB ' HG13 ' A' ' 66' ' ' ILE . 73.2 m-85 -84.77 128.9 34.83 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -134.41 139.36 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 112.122 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' NH2' ' HA ' ' A' ' 10' ' ' SER . 60.5 mtp180 -115.52 133.81 55.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.332 177.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -119.64 109.78 16.07 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.955 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.7 -44.83 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.209 . . . . 0.0 113.687 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -109.58 -170.49 1.66 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.059 0.457 . . . . 0.0 111.611 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.531 ' HA ' ' NH2' ' A' ' 6' ' ' ARG . 29.8 t -77.15 -11.56 59.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.67 126.34 28.1 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.009 0.433 . . . . 0.0 111.243 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.61 136.89 12.08 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.484 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -132.4 144.76 54.37 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-O 120.727 0.299 . . . . 0.0 110.61 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -81.42 121.31 3.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.16 119.69 51.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.8 tm-20 -87.87 115.88 25.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.06 168.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.57 164.31 26.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.75 -20.28 66.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.57 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.67 75.58 1.28 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.738 0.78 . . . . 0.0 109.934 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -121.44 108.8 14.08 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.174 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 16.4 m -65.26 151.34 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.483 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 50' ' ' LEU . 46.3 mm -57.89 -37.77 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 0.0 110.97 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.21 -42.58 96.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.965 0.412 . . . . 0.0 109.928 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 mt-30 -65.82 -45.62 81.64 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.753 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -54.62 -44.01 72.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.717 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.08 -46.97 84.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.874 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.01 -36.08 77.4 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 25' ' ' GLN . 76.1 t -61.4 -47.3 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.518 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -66.9 -41.98 88.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 109.926 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.78 63.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.584 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.58 -32.07 73.57 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.725 0.298 . . . . 0.0 110.501 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -58.45 -44.83 89.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.81 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -92.52 -19.68 21.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.025 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.81 39.19 6.26 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.094 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.6 m -117.58 153.09 50.38 Favored Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 122.817 -0.225 . . . . 0.0 110.667 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.03 116.49 4.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.687 2.258 . . . . 0.0 113.296 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.5 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.336 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -63.58 -22.67 67.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.973 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 11.9 pt20 -127.07 15.02 7.34 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.055 0.455 . . . . 0.0 110.19 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 43.9 tp -84.39 128.81 34.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.756 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -103.05 138.57 39.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 69' ' ' ILE . 27.3 m -127.92 139.02 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.206 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.5 mm -126.17 120.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.22 0.534 . . . . 0.0 111.414 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 50' ' ' LEU . 53.1 t80 -129.84 111.59 12.74 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.57 22.09 13.02 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 111.243 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.47 15.35 58.66 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.15 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -149.16 174.6 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.67 -0.312 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -101.37 138.13 38.79 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 45' ' ' PHE . 89.0 mt -78.85 -178.24 5.91 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 54' ' ' TRP . 15.5 mmm180 -64.56 100.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.362 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -51.24 -51.83 50.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.784 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.1 65.81 1.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.439 0.638 . . . . 0.0 110.397 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.625 ' O ' ' HA ' ' A' ' 22' ' ' SER . 40.3 t-105 -164.27 147.4 9.29 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.836 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.76 142.56 58.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 112.76 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 61' ' ' LEU . 9.3 p -70.47 -25.58 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.653 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.588 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 27.4 tt0 -59.13 -47.42 85.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.538 -178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.82 -23.69 65.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.328 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -85.98 -11.75 52.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 57.68 52.16 8.58 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 67' ' ' VAL . 10.1 mp -68.27 -12.59 61.27 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.404 0.621 . . . . 0.0 110.885 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.13 -34.01 61.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -103.36 -32.09 9.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -104.79 107.86 19.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 4' ' ' PHE . 20.3 tt -127.6 148.31 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.439 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' CG2' HD23 ' A' ' 61' ' ' LEU . 15.8 t -81.72 120.94 34.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 120.609 0.243 . . . . 0.0 111.054 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -96.7 107.88 20.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.443 HG12 HG12 ' A' ' 43' ' ' VAL . 28.8 mt -106.94 128.86 61.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.44 135.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.642 0.258 . . . . 0.0 110.59 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.527 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 26.9 tt0 -135.69 125.47 25.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.57 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -132.55 83.25 54.57 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 4.3 Cg_exo -77.87 158.16 31.21 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.069 2.513 . . . . 0.0 112.626 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -88.5 -46.8 8.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.349 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -119.62 13.2 12.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.815 -176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 C--N 1.313 -1.014 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.456 -179.63 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.93 119.99 53.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.304 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.74 148.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 120.881 0.372 . . . . 0.0 110.542 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -89.87 137.25 32.5 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.778 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.36 139.17 42.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.431 0.634 . . . . 0.0 111.375 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 68' ' ' HIS . 15.4 mmm180 -102.76 144.86 30.57 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.685 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -136.86 150.5 48.31 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -52.79 123.16 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.824 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m 66.02 18.19 10.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.646 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -121.43 -162.96 1.0 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -117.68 -175.35 2.81 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.58 81.13 1.36 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -91.23 144.72 30.26 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-O 120.831 0.348 . . . . 0.0 111.65 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.42 131.87 5.75 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.595 2.196 . . . . 0.0 111.859 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG12 HG13 ' A' ' 17' ' ' VAL . 79.3 t -116.71 122.89 70.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.033 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.05 119.97 31.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.007 0.432 . . . . 0.0 110.593 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG11 HD13 ' A' ' 26' ' ' LEU . 19.5 m -131.74 174.65 12.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 2.1 m-20 -84.64 161.45 20.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m -71.67 -25.98 62.34 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.279 0.561 . . . . 0.0 110.064 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -93.09 1.43 57.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.12 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 18' ' ' ASP . 54.5 m -66.31 120.13 12.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 73.7 p -75.1 158.31 33.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.238 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.6 mm -61.45 -24.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.22 -46.82 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.9 mm100 -69.68 -38.88 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.959 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD13 HG11 ' A' ' 17' ' ' VAL . 61.4 tp -60.96 -38.87 87.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.083 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -54.24 -46.43 72.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.064 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -68.08 -41.21 82.25 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 25' ' ' GLN . 87.4 t -58.02 -48.38 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.657 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 69' ' ' ILE . 59.8 t -69.17 -39.0 78.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.273 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.76 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.399 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.76 -28.28 68.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 111.373 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 HG22 ' A' ' 15' ' ' VAL . 45.2 ttt180 -69.66 -36.96 76.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -93.94 -6.47 45.42 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.36 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.28 40.01 50.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.012 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 28.2 m -124.86 153.43 70.74 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.567 0.222 . . . . 0.0 110.544 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 63.9 Cg_endo -76.52 130.43 11.77 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.317 2.011 . . . . 0.0 111.676 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.53 -3.85 39.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' CG ' HH21 ' A' ' 75' ' ' ARG . 27.3 t70 -58.37 -52.16 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.564 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 18.4 mm-40 -110.08 32.23 5.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.553 0.692 . . . . 0.0 110.182 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.7 tp -94.75 134.82 36.95 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.38 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -118.34 127.45 53.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.215 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.62 130.62 52.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.953 0.406 . . . . 0.0 111.081 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -119.85 104.93 16.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.331 0.586 . . . . 0.0 109.814 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 78.0 t80 -117.18 113.65 22.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.451 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.74 15.88 9.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.023 0.439 . . . . 0.0 111.289 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.17 -2.76 54.85 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.005 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 159.88 40.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.662 0.267 . . . . 0.0 111.378 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.57 162.53 23.11 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 23' ' ' ILE . 91.8 mt -108.47 165.98 11.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.018 0.437 . . . . 0.0 111.388 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -83.12 114.63 21.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.315 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.4 p-10 -60.91 -14.18 20.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.68 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.89 -9.4 55.8 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.424 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 8.2 t-105 -113.66 167.29 10.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.498 -0.881 . . . . 0.0 113.15 -175.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 68.2 p -76.33 152.3 36.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.893 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG23 HD22 ' A' ' 61' ' ' LEU . 14.0 p -73.31 -26.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.235 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.24 -49.88 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.501 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.408 ' HB3' ' HE1' ' A' ' 54' ' ' TRP . 2.8 t-20 -78.21 -14.01 59.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.65 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.81 -11.24 59.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.929 0.395 . . . . 0.0 110.174 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.3 50.75 3.68 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 67' ' ' VAL . 7.9 mp -80.6 -1.9 44.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.186 0.517 . . . . 0.0 111.034 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.88 -39.91 12.04 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.067 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -106.36 -29.86 9.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -88.52 84.0 6.79 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.813 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.22 151.59 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.495 HG21 HD23 ' A' ' 61' ' ' LEU . 10.9 t -81.27 134.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 116.836 -0.166 . . . . 0.0 110.646 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 10.0 m170 -117.63 114.35 23.26 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 30' ' ' VAL . 39.9 mt -111.79 127.52 68.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.444 0.64 . . . . 0.0 111.383 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.7 137.48 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.771 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 7.2 tt0 -107.03 124.11 49.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.726 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 37.3 mmt180 -127.3 87.46 56.31 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.202 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 11.1 Cg_exo -72.15 80.64 1.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.771 2.314 . . . . 0.0 111.954 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -66.43 -6.81 15.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.483 HH21 ' CG ' ' A' ' 39' ' ' ASP . 26.7 ptt180 -137.58 29.08 2.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 111.987 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 37.9 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.065 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 16' ' ' GLU . 65.5 mt -96.54 122.24 47.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.471 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.67 137.15 51.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.39 129.94 34.84 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.885 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.8 t -131.95 137.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -115.4 133.45 56.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.925 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 61.8 t80 -102.22 151.48 22.17 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -54.12 -22.03 10.08 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m -121.58 30.53 6.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.984 0.421 . . . . 0.0 110.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 43.4 t -145.88 156.73 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -81.97 -37.32 26.84 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.84 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.87 134.07 2.07 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.55 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -139.63 143.36 34.96 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.666 0.269 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.1 122.98 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.621 2.214 . . . . 0.0 111.941 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.37 126.69 60.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.815 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.2 tm-20 -92.4 117.02 29.5 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG11 HD13 ' A' ' 26' ' ' LEU . 11.6 m -135.72 167.16 25.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.96 166.42 18.87 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.011 0.434 . . . . 0.0 110.872 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -74.78 -6.48 49.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.52 8.51 12.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.738 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -66.81 123.05 19.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.475 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.3 m -77.72 147.3 35.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 51' ' ' ARG . 50.6 mm -55.87 -35.39 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 43.9 t80 -60.12 -42.63 95.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.366 . . . . 0.0 110.267 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.7 mm100 -69.51 -42.31 74.89 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 HG11 ' A' ' 17' ' ' VAL . 60.2 tp -56.66 -41.98 78.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.891 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.12 -47.44 86.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.116 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.75 -36.67 85.06 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.534 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' GLN . 73.4 t -58.79 -50.41 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.99 -47.39 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.81 96.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -65.91 -37.49 86.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.089 0.471 . . . . 0.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -65.52 -32.75 74.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.144 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -98.42 -11.73 22.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.515 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 28.03 56.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.619 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.09 156.45 37.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 122.651 -0.323 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -68.3 121.1 8.04 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.754 2.303 . . . . 0.0 111.681 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.5 -18.48 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -80.22 -6.39 57.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.282 0.563 . . . . 0.0 110.27 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.67 11.89 18.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.307 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' CG2' ' A' ' 69' ' ' ILE . 16.5 tp -106.43 141.29 37.99 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.085 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -122.03 131.82 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 m -101.69 114.14 40.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.285 0.564 . . . . 0.0 111.617 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.88 147.47 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.759 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -135.83 106.58 6.58 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.18 -62.46 0.36 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.963 0.789 . . . . 0.0 110.982 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.13 2.2 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -108.65 171.43 7.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.59 146.28 41.91 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' ILE . 65.7 mt -94.51 145.56 24.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.237 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -79.73 152.37 29.9 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 26.2 p-10 -72.56 -40.87 66.33 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -175.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.83 79.12 1.62 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.34 0.59 . . . . 0.0 110.63 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.1 t-105 -162.9 151.93 14.91 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.437 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -71.42 137.84 48.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.113 0.483 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 HD12 ' A' ' 61' ' ' LEU . 8.8 p -73.41 -26.62 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.625 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 29.9 tt0 -67.75 -33.89 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.05 0.452 . . . . 0.0 111.472 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.25 -7.28 59.39 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.102 0.477 . . . . 0.0 110.848 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.8 m -84.59 -12.9 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.14 35.01 21.18 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.013 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 56' ' ' VAL . 35.1 mt -68.76 -10.59 57.47 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.86 -25.47 11.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.558 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -88.35 -52.47 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -73.48 -70.94 0.34 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -96.07 153.04 3.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 t -80.76 135.24 25.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.725 0.297 . . . . 0.0 110.411 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -111.9 108.4 17.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.031 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 41' ' ' LEU . 28.2 mt -105.51 125.5 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-O 121.117 0.484 . . . . 0.0 111.136 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.19 141.83 43.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -109.6 138.48 45.91 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -120.14 86.1 36.94 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.143 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 89.4 Cg_endo -94.79 150.79 1.79 Allowed 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 123.076 2.518 . . . . 0.0 112.804 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -109.84 -23.53 11.33 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.651 ' NE ' ' HA ' ' A' ' 75' ' ' ARG . 4.1 mmp_? -111.55 12.63 21.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 6.8 mmpt? . . . . . 0 C--N 1.31 -1.124 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.669 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.884 0.373 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -105.44 110.65 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.719 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.26 151.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.106 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -96.67 135.77 38.14 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.1 135.94 47.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.48 0.657 . . . . 0.0 111.895 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 11' ' ' HIS . 42.6 mtp85 -107.03 109.18 21.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.048 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.6 151.48 22.45 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -41.16 -47.77 3.31 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.35 0.66 . . . . 0.0 112.65 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -103.95 32.34 3.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.014 0.435 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -137.16 175.03 9.98 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 48.5 m-70 -100.44 -57.69 2.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 110.512 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.34 97.55 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -115.37 147.98 39.85 Favored Pre-proline 0 C--N 1.313 -1.014 0 CA-C-O 120.755 0.312 . . . . 0.0 111.378 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.79 134.79 6.46 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 17' ' ' VAL . 49.3 t -115.59 129.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.981 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -90.63 113.05 25.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.07 0.462 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 15' ' ' VAL . 27.9 m -128.34 174.74 11.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.205 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -87.06 166.33 15.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -71.74 -33.49 68.73 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.267 0.556 . . . . 0.0 110.348 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.48 4.35 51.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.501 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -61.61 123.17 17.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.504 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.1 m -80.08 151.27 29.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.013 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -56.52 -29.56 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.311 0.577 . . . . 0.0 110.156 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -52.91 -56.41 16.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.57 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 mm-40 -73.32 -37.27 66.21 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.303 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD13 HG11 ' A' ' 17' ' ' VAL . 60.0 tp -53.75 -41.87 67.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.55 -43.95 96.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.366 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.36 -28.11 62.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.969 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.3 t -65.85 -47.99 83.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.007 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.896 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.02 83.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.593 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -65.83 -45.02 83.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.526 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 HG22 ' A' ' 15' ' ' VAL . 63.9 ttt180 -64.48 -35.74 81.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.464 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -90.22 -23.83 21.15 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.938 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.54 44.48 8.55 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.778 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 34.7 m -129.51 150.27 75.16 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.414 0.15 . . . . 0.0 110.826 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -65.5 119.58 6.63 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.333 2.022 . . . . 0.0 111.467 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.47 63.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -63.92 -27.88 69.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.102 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' NE2' ' HB3' ' A' ' 74' ' ' TRP . 73.9 mt-30 -108.44 3.68 23.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.628 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.92 136.19 34.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.132 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -116.06 126.96 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.96 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -106.22 128.39 60.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.352 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.61 129.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.286 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -137.85 122.96 19.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.286 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.93 19.23 11.45 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.03 0.532 . . . . 0.0 111.748 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.74 -5.44 66.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.685 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -179.35 5.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.547 0.213 . . . . 0.0 111.035 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.0 164.03 12.1 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.862 0.363 . . . . 0.0 110.313 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt -114.41 155.41 26.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.993 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' H ' ' CD ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -65.01 134.35 53.68 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.337 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -70.27 -32.54 70.4 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -102.71 73.13 1.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.427 0.632 . . . . 0.0 111.495 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.4 t-105 -165.35 157.76 15.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.864 175.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.0 p -69.01 145.08 53.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.424 0.631 . . . . 0.0 112.249 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 HD13 ' A' ' 61' ' ' LEU . 12.4 p -80.06 -20.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.443 178.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -72.61 -29.17 63.26 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.39 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -36.36 23.87 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.4 -30.85 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 t70 62.48 92.0 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.009 0.924 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD13 HG23 ' A' ' 56' ' ' VAL . 7.9 mp -109.4 17.97 20.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -48.58 4.74 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.875 -1.511 . . . . 0.0 111.469 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -117.5 -32.71 4.82 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.39 -57.99 10.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt -91.96 144.51 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' HD23 ' A' ' 61' ' ' LEU . 5.4 t -80.67 131.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-O 120.46 0.171 . . . . 0.0 110.725 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -108.57 114.6 28.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.1 mt -119.24 118.94 59.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-O 121.234 0.54 . . . . 0.0 111.352 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 m -111.27 141.27 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.395 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.7 tp60 -103.37 134.65 46.4 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -109.7 84.92 3.53 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.556 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 5.3 Cg_exo -75.04 101.22 1.44 Allowed 'Trans proline' 0 N--CA 1.443 -1.443 0 C-N-CA 122.579 2.186 . . . . 0.0 113.263 -174.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.524 ' HB3' ' NE2' ' A' ' 40' ' ' GLN . 43.8 t90 -93.48 -22.21 19.01 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HG2' HE22 ' A' ' 40' ' ' GLN . 3.6 ptp180 -152.26 88.35 1.37 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.658 175.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.006 -178.848 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 20.8 ttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG12 ' HG2' ' A' ' 16' ' ' GLU . 28.8 mt -125.56 131.72 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.678 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.34 157.99 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.429 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -97.22 139.13 33.66 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.239 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 14.5 p -135.36 135.15 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-O 121.303 0.573 . . . . 0.0 111.966 -176.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' CA ' ' A' ' 12' ' ' GLY . 13.0 mmm180 -106.84 101.15 10.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.019 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -87.34 147.6 25.41 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -52.34 125.24 15.43 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.313 0.383 . . . . 0.0 110.901 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m 70.69 16.8 6.73 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.6 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -128.18 -179.82 5.2 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -103.7 173.06 6.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -178.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . -85.65 83.7 1.61 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.309 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -91.49 147.25 34.91 Favored Pre-proline 0 C--N 1.312 -1.032 0 CA-C-O 120.683 0.278 . . . . 0.0 110.518 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.64 125.96 6.43 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.391 2.061 . . . . 0.0 111.958 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -107.62 129.29 61.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.346 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HG2' HG12 ' A' ' 2' ' ' ILE . 40.3 mt-10 -85.53 120.9 27.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.663 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 26' ' ' LEU . 27.8 m -128.73 -179.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.477 -178.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -91.74 171.71 8.97 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -178.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p -81.33 0.3 37.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.752 178.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -132.15 24.11 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.256 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 m -76.58 116.99 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.39 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 m -77.23 156.15 31.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.011 177.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 50' ' ' LEU . 41.6 mm -55.32 -38.79 49.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.889 0.376 . . . . 0.0 111.229 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.0 t80 -64.8 -36.06 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.726 179.095 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.6 mt-30 -68.96 -45.11 71.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.505 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 17' ' ' VAL . 50.6 tp -58.93 -39.01 80.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 88.3 tttt -58.56 -49.38 77.63 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.877 176.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.32 -46.75 87.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.364 179.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.8 t -55.0 -51.98 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.202 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.33 -35.85 72.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.797 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.0 62.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -68.99 -29.49 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.76 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -64.54 -39.26 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.187 0.518 . . . . 0.0 110.498 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -92.84 -6.72 48.18 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.287 -179.006 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.68 37.72 67.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.299 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.44 150.68 48.4 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.532 0.206 . . . . 0.0 110.727 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 31.3 Cg_endo -65.79 119.66 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.475 2.117 . . . . 0.0 111.476 178.133 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -66.43 -23.83 66.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.146 -178.211 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -68.4 -24.53 64.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 80.5 mm-40 -108.21 12.35 26.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.391 0.615 . . . . 0.0 110.306 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -97.75 144.33 27.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.085 -178.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -122.99 130.11 52.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.731 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.93 122.97 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.127 0.489 . . . . 0.0 111.368 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -118.52 130.41 73.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.399 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 68.7 t80 -128.99 114.27 16.21 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 5.61 3.42 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.404 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.45 7.11 Favored Glycine 0 C--O 1.227 -0.331 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.709 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -113.02 170.75 7.98 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.48 138.39 39.46 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.8 mt -85.53 170.34 12.71 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.141 0.496 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 7.2 ptm180 -90.0 155.97 18.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.776 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.4 p-10 -72.64 -39.23 67.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -90.48 65.23 6.06 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.358 0.599 . . . . 0.0 110.372 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.476 ' NE1' ' HB2' ' A' ' 59' ' ' CYS . 26.1 t-105 -146.81 132.95 19.32 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.1 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -79.35 140.6 37.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.365 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 HD13 ' A' ' 61' ' ' LEU . 8.6 p -76.6 -24.89 15.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.814 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.526 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 24.3 tp60 -68.81 -42.9 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.132 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.51 -18.66 56.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.102 0.477 . . . . 0.0 110.896 -178.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 26.1 t -90.25 -37.42 14.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 64.17 94.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.686 0.794 . . . . 0.0 111.205 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 9.6 mp -103.31 26.55 8.21 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.82 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.64 -43.57 3.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.864 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -90.55 -41.97 11.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -89.74 93.16 9.34 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD13 ' HG2' ' A' ' 6' ' ' ARG . 18.6 tt -126.21 153.27 34.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD23 ' A' ' 61' ' ' LEU . 10.7 t -80.83 129.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -177.262 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -107.16 111.05 23.3 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.89 121.59 66.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-O 121.187 0.518 . . . . 0.0 110.601 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -128.92 145.87 35.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.84 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' OE1' ' HD2' ' A' ' 37' ' ' PRO . 7.7 tt0 -95.51 124.64 39.63 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.312 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.97 89.34 7.24 Favored Pre-proline 0 C--N 1.31 -1.147 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.472 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 94.9 Cg_endo -87.32 141.79 5.96 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 122.794 2.33 . . . . 0.0 112.978 -178.101 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -111.22 -50.85 2.9 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -93.9 80.89 4.16 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.821 176.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 C--O 1.247 0.967 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.346 -179.188 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.58 111.69 37.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.76 144.1 16.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.839 0.352 . . . . 0.0 110.314 178.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB2' HG13 ' A' ' 66' ' ' ILE . 44.9 m-85 -87.83 125.89 34.72 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' A' ' 67' ' ' VAL . 69.6 t -131.93 134.24 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.443 -176.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 99.4 mtt180 -107.96 100.71 10.03 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.103 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 9' ' ' SER . 50.9 t80 -85.99 108.79 18.38 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 -178.661 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 9' ' ' SER . 24.8 t-20 -78.01 88.42 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.229 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 33.1 t 168.11 -34.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.504 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 t -124.27 -78.78 0.6 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.146 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -173.22 169.53 4.51 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 6' ' ' ARG . . . -85.25 128.67 8.85 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.499 178.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -140.56 150.01 59.07 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 116.64 0.22 . . . . 0.0 110.493 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 121.99 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.275 1.983 . . . . 0.0 111.141 177.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.6 t -94.47 119.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.135 0.493 . . . . 0.0 110.203 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -90.83 111.82 23.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.884 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 26' ' ' LEU . 16.5 m -126.68 -177.49 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.6 162.21 14.27 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -64.56 -23.44 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.071 177.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -110.98 66.42 0.63 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.565 0.698 . . . . 0.0 109.954 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -116.75 114.24 23.71 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.94 178.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 37.2 m -69.65 149.68 47.83 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 178.578 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.19 -39.93 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.611 0.244 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.464 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 69.9 t80 -61.72 -47.61 84.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.968 0.413 . . . . 0.0 110.269 177.322 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.8 mm100 -63.67 -41.39 98.18 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.079 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 HG11 ' A' ' 17' ' ' VAL . 53.8 tp -57.21 -47.14 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.514 178.469 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.37 -43.75 92.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.142 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.49 -36.48 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.02 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' GLN . 66.8 t -62.62 -50.39 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.397 178.099 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.18 -39.5 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.172 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -59.98 -52.48 65.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.694 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -34.43 72.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.605 -178.432 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.4 ttt180 -67.67 -30.02 69.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 -177.587 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -103.78 -6.76 21.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.72 55.98 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.046 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 31' ' ' ALA . 18.7 m -136.56 153.49 76.06 Favored Pre-proline 0 C--N 1.318 -0.789 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.718 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.19 117.35 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.242 1.962 . . . . 0.0 111.925 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.28 -37.83 88.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.745 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 73.3 mt-30 -102.79 19.39 19.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.483 0.659 . . . . 0.0 110.589 -178.071 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.7 tp -101.62 151.84 21.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.303 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -130.81 137.97 49.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.57 0.224 . . . . 0.0 110.534 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.54 129.18 75.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.174 0.511 . . . . 0.0 111.14 178.144 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -123.86 132.36 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.566 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 88.6 t80 -133.93 124.36 26.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.19 22.69 13.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.73 11.63 70.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -142.83 -178.45 5.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.55 138.36 48.18 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.88 166.76 12.89 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.585 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -73.16 142.92 47.43 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.373 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 24' ' ' PHE . 87.3 m-20 -74.32 -26.76 60.36 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 120.9 0.381 . . . . 0.0 111.455 -177.058 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -102.92 67.91 0.98 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.066 -175.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 19.2 t-105 -161.82 151.88 16.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.405 177.127 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -73.73 142.53 46.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.309 0.576 . . . . 0.0 111.961 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 61' ' ' LEU . 12.6 p -72.11 -25.37 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -59.15 -42.54 90.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.296 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.53 -1.54 58.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.061 0.458 . . . . 0.0 111.037 -177.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.421 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 72.7 m -95.78 -17.6 21.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.671 178.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 57.33 55.46 5.81 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 11.1 mp -76.75 -0.59 24.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.155 0.502 . . . . 0.0 111.455 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.98 -8.19 18.74 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.243 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -118.78 -56.84 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -80.2 103.63 10.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.049 -176.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 4' ' ' PHE . 21.0 tt -139.42 154.07 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 5' ' ' VAL . 4.5 t -81.69 129.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 -177.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -106.88 108.68 20.31 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.38 129.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 -178.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -135.2 148.75 28.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.953 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -111.1 157.61 19.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -147.07 76.15 11.43 Favored Pre-proline 0 C--N 1.313 -1.012 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.565 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 Cg_endo -89.28 123.34 1.31 Allowed 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 122.921 2.414 . . . . 0.0 112.941 -176.628 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -101.42 -31.4 10.94 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -99.35 9.04 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.006 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 75.2 mmtt . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.797 179.096 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.591 0.234 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.1 mm -93.27 123.11 45.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.533 178.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 62' ' ' ASP . 29.6 m -115.06 157.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.188 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -101.84 132.34 47.67 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.78 141.28 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.059 0.457 . . . . 0.0 111.563 -177.104 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -115.52 119.36 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.149 176.529 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -100.51 113.88 27.03 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.589 0.233 . . . . 0.0 110.901 -178.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.66 48.55 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.295 178.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t 70.79 12.5 7.18 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.19 177.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 p -65.56 168.97 6.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.309 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -51.73 -68.47 0.17 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.245 0.34 . . . . 0.0 111.825 -177.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.4 131.77 1.56 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.363 -0.923 . . . . 0.0 111.885 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -130.1 145.85 59.01 Favored Pre-proline 0 C--N 1.309 -1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.1 114.85 2.26 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.752 2.301 . . . . 0.0 112.243 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -99.92 125.91 53.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -82.46 118.73 23.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 179.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.71 170.0 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.92 170.08 8.07 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 p -67.22 -18.52 65.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.68 24.95 11.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.467 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 m -87.33 115.3 24.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.128 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -79.61 167.12 21.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.071 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.36 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.45 -51.59 69.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.484 175.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.2 mm100 -66.87 -45.08 79.24 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.69 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 tp -56.12 -43.18 77.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -58.55 -46.01 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.036 178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.425 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 75.1 t -59.43 -53.53 46.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.689 179.028 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.62 -38.29 81.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.885 0.374 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.64 -45.13 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.9 -29.89 67.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 -178.031 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 30.3 mtp-105 -65.44 -44.42 87.37 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.941 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.37 -34.31 28.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.219 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.8 41.82 4.3 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.53 156.24 55.9 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.638 -0.281 . . . . 0.0 110.423 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.65 119.32 6.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.641 2.227 . . . . 0.0 111.617 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.82 -21.74 56.99 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.178 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.99 -51.11 35.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.566 0.222 . . . . 0.0 111.413 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -89.22 22.02 3.01 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.849 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 31' ' ' ALA . 40.0 tp -93.18 138.58 31.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.254 177.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -119.88 125.58 48.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.05 0.452 . . . . 0.0 111.867 -177.109 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -97.38 133.16 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.59 176.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -130.68 136.68 57.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.218 0.532 . . . . 0.0 111.094 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -140.66 113.52 8.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.18 177.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 22.88 12.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.924 0.49 . . . . 0.0 111.75 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 -16.96 53.8 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.624 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 158.85 26.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 117.143 0.472 . . . . 0.0 111.254 -178.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -91.13 147.49 23.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 178.799 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.5 mt -91.44 150.22 21.34 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.86 133.39 54.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.305 177.592 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -64.32 -40.86 96.75 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.079 -177.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.11 70.37 7.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.645 0.736 . . . . 0.0 110.736 -177.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -164.0 135.33 4.59 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.352 177.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.61 139.93 58.47 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.331 0.586 . . . . 0.0 112.362 -178.212 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.38 -19.97 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.278 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -35.65 78.92 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.286 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.04 -2.13 57.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 110.046 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.54 -31.86 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.717 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.35 42.44 9.14 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.771 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.51 1.4 2.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.945 -179.082 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.491 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -101.58 -29.8 11.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 178.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.65 -13.83 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.376 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -94.56 -154.75 0.43 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 tt -90.41 144.34 9.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -81.39 130.54 35.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -103.34 128.94 50.29 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.76 129.08 66.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.348 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.67 139.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.034 0.445 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.528 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 23.3 pt20 -103.65 158.83 16.11 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.03 179.543 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -96.88 99.75 6.31 Favored Pre-proline 0 C--N 1.311 -1.067 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 173.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 2.7 Cg_exo -75.63 102.39 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 122.583 2.189 . . . . 0.0 112.951 -176.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.84 94.13 6.39 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.924 176.128 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 56.83 38.71 29.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.373 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.573 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.47 124.95 46.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.491 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.46 149.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 120.697 0.284 . . . . 0.0 110.512 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -92.16 130.69 37.82 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.03 134.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.158 0.504 . . . . 0.0 111.688 -177.285 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' NH2' ' HA ' ' A' ' 10' ' ' SER . 56.4 mtp180 -106.55 144.14 33.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.843 177.555 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -133.44 109.82 9.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.57 -60.71 0.38 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.942 0.776 . . . . 0.0 113.083 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -82.86 177.61 8.57 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.21 0.528 . . . . 0.0 111.503 -178.024 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.517 ' HA ' ' NH2' ' A' ' 6' ' ' ARG . 14.5 m -78.9 -18.13 54.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.741 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.11 138.07 56.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 178.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.09 126.81 6.72 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.654 179.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.2 p90 -104.36 151.94 39.2 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 5.1 Cg_endo -87.24 126.27 2.31 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.745 2.297 . . . . 0.0 112.534 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.1 119.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.085 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -82.81 121.34 26.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.449 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.4 172.05 13.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.732 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -92.38 175.43 6.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.099 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 p -67.62 -36.04 80.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 111.321 -178.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -111.81 23.68 13.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -67.65 114.67 6.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -65.77 147.79 52.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.7 mm -56.62 -36.02 47.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 76.3 t80 -60.1 -42.98 95.85 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.026 0.441 . . . . 0.0 110.028 177.632 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.6 mm100 -61.74 -47.07 86.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.298 179.224 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.583 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.57 -46.19 87.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.898 177.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.8 mm-40 -63.34 -41.19 98.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.216 178.138 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 25' ' ' GLN . 62.6 t -57.36 -49.63 79.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.166 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.579 178.224 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.52 -40.97 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.04 -55.14 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.505 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 18.8 ptpt -68.24 -29.52 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.187 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -71.51 -26.84 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.009 0.433 . . . . 0.0 110.863 -178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -107.68 3.65 24.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -178.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.08 47.67 63.75 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.55 177.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.47 151.36 77.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.938 0.369 . . . . 0.0 110.883 178.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.86 119.12 5.72 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.562 2.175 . . . . 0.0 111.814 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.5 -24.01 67.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.574 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.42 -23.66 67.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.888 0.375 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -118.31 23.82 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.295 0.569 . . . . 0.0 110.174 -179.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -102.59 139.17 38.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.88 -178.286 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 11.8 tpp180 -111.8 131.13 55.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -179.716 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.35 106.72 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.514 0.673 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.43 101.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-O 121.282 0.563 . . . . 0.0 110.788 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -90.79 111.39 22.75 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.12 -63.36 0.37 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.979 0.8 . . . . 0.0 110.84 -176.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.15 12.92 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.298 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.78 166.64 32.9 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.158 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.583 ' OE1' ' HD3' ' A' ' 42' ' ' ARG . 4.2 mm-40 -74.15 156.86 36.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.139 177.078 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 23' ' ' ILE . 59.8 mt -108.53 163.69 13.01 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.368 0.604 . . . . 0.0 111.208 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -74.04 108.13 6.66 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.629 176.421 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 49.6 m-80 -64.19 -28.13 69.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.18 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.28 -17.67 38.9 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' HB3' ' HG2' ' A' ' 51' ' ' ARG . 9.4 t-105 -99.12 172.92 7.07 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.286 -0.566 . . . . 0.0 111.483 -176.587 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -76.55 153.58 35.28 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.657 0.741 . . . . 0.0 112.976 -174.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.52 -30.36 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.468 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.54 -38.93 92.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 -178.464 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.99 -21.22 63.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 0.0 110.952 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.5 m -81.0 -22.51 39.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 21.1 m-20 64.52 61.04 0.87 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.58 -23.23 53.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 178.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.21 -30.57 23.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 60' ' ' ASP . 33.2 tt0 -85.05 -48.53 9.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.484 -179.338 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -85.78 -152.66 0.17 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.662 0.268 . . . . 0.0 111.471 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.0 tt -95.8 157.25 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.704 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.16 127.32 40.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.523 0.201 . . . . 0.0 110.591 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -99.84 106.89 18.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -108.57 130.57 61.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.243 0.544 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.83 150.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.088 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -102.23 148.84 24.95 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.97 -178.16 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -134.99 87.36 29.77 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' HB2' ' HB3' ' A' ' 76' ' ' LYS . 91.4 Cg_endo -83.91 139.35 8.5 Favored 'Trans proline' 0 N--CA 1.442 -1.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.296 -178.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -122.2 120.87 35.44 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 70.8 17.12 6.53 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.389 0.676 . . . . 0.0 111.161 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 73' ' ' PRO . 25.6 tptp . . . . . 0 N--CA 1.431 -1.39 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.446 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 120.76 0.314 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.4 mt -104.08 117.23 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.71 165.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.34 140.92 42.4 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.622 0.248 . . . . 0.0 110.451 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -138.36 143.05 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.332 0.587 . . . . 0.0 111.877 -177.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -115.28 111.98 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 49.2 t80 -93.73 140.18 29.95 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.637 178.253 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.03 -50.85 26.44 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -94.51 29.49 2.25 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.553 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 4.3 t -153.12 -167.94 2.87 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -113.02 -172.44 2.06 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.23 120.71 5.34 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.167 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -135.83 151.28 73.77 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-O 120.525 0.202 . . . . 0.0 110.667 178.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.05 144.63 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.531 2.154 . . . . 0.0 112.439 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.27 118.8 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.939 177.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.94 127.25 33.35 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.957 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.39 166.66 11.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.959 -177.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -103.19 -177.72 3.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.583 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 25.1 m -77.1 -13.09 60.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.424 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.68 19.13 12.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.572 -178.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -81.57 100.67 9.52 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.884 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -68.58 150.68 47.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.619 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.9 mm -57.29 -34.54 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.105 0.479 . . . . 0.0 110.533 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -61.3 -42.95 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.1 mt-30 -68.44 -44.12 75.61 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.901 178.509 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.01 -42.72 76.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.178 0.513 . . . . 0.0 110.103 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.05 -44.3 87.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.981 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 51.5 mt-10 -71.52 -32.4 68.15 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.395 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' GLN . 68.9 t -62.7 -47.69 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.432 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.25 -41.41 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.143 178.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.66 -42.45 99.62 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.167 0.508 . . . . 0.0 110.709 178.502 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.26 -41.54 96.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -66.91 -31.3 71.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.947 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -96.76 -10.53 26.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.762 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.72 48.11 51.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.18 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.45 155.69 80.68 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 111.88 1.09 Allowed 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.604 2.203 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 28' ' ' GLU . . . -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.896 -177.105 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.84 -31.06 70.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -96.08 8.91 42.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 31' ' ' ALA . 22.7 tp -96.28 141.84 29.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.058 -179.48 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 42' ' ' ARG . 3.8 ttt180 -127.61 149.17 50.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.668 0.271 . . . . 0.0 110.692 -178.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.61 142.08 23.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.834 0.349 . . . . 0.0 111.29 179.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -130.87 119.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -138.03 124.16 20.35 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.7 20.35 11.52 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 -179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.96 66.48 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.895 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 164.73 29.62 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.557 -0.378 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -89.89 154.09 20.13 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.621 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.9 mt -86.16 -177.36 6.25 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.815 -176.464 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -81.69 -14.11 56.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.091 -177.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.619 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 79.4 m-20 67.74 -60.3 0.4 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 175.88 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -66.58 -35.04 79.24 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 58' ' ' ASN . 1.2 t90 -77.66 164.41 25.33 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.733 -174.521 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 t -74.95 152.7 38.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 112.227 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.68 -16.43 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.669 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 17.0 tp60 -63.16 -37.53 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 111.079 -177.323 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 4.1 t-20 -90.55 8.74 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.542 0.687 . . . . 0.0 109.914 179.598 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.3 94.99 4.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.7 95.42 0.11 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.926 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 67' ' ' VAL . 8.9 mp -110.33 0.37 17.97 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.867 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -86.89 -42.48 13.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.932 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -104.81 27.03 8.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.906 0.384 . . . . 0.0 111.257 -179.19 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB3' ' H ' ' A' ' 65' ' ' SEP . 27.1 mm-40 -127.86 -159.65 0.96 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' SEP . . . . . 0.403 ' H ' ' HB3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt -91.56 143.48 11.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 120.811 0.338 . . . . 0.0 110.098 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -81.44 131.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.001 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -105.39 135.75 46.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.4 mt -128.65 122.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-O 121.082 0.468 . . . . 0.0 111.197 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -118.35 144.29 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -101.17 138.36 38.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -118.25 95.82 48.97 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.986 0.422 . . . . 0.0 110.838 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -90.27 174.3 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.083 2.522 . . . . 0.0 112.128 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -81.01 77.32 7.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.94 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 54.95 83.48 0.08 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.471 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.824 -0.607 . . . . 0.0 110.496 178.639 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.19 121.52 54.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 62' ' ' ASP . 35.0 m -102.99 148.9 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -93.02 127.94 38.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.27 136.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.235 0.54 . . . . 0.0 111.92 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 94.0 mtt180 -113.91 114.12 25.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.722 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -89.0 143.1 27.09 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.097 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.74 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -99.8 151.56 37.52 Favored Pre-proline 0 C--N 1.315 -0.911 0 CA-C-O 120.679 0.275 . . . . 0.0 111.195 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.34 126.85 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.813 2.342 . . . . 0.0 112.429 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -115.57 122.77 70.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.76 121.49 26.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 26' ' ' LEU . 33.0 m -132.95 159.05 43.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.42 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.1 162.6 16.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.1 m -66.68 -28.14 68.22 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.309 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.76 4.27 54.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.735 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 m -67.79 114.34 6.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.0 m -69.87 151.22 45.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 50' ' ' LEU . 50.2 mm -55.01 -44.32 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.459 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 31.5 t80 -65.1 -39.49 93.2 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.283 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.8 mt-30 -61.49 -42.13 98.32 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.161 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 17' ' ' VAL . 35.5 tp -64.11 -39.72 94.64 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.227 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -57.1 -45.79 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -31.16 71.78 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.19 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 25' ' ' GLN . 53.3 t -65.92 -49.96 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.205 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.48 -39.13 84.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.795 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -61.62 -38.19 86.72 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.394 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -68.83 -48.29 63.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.658 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -57.2 -48.57 78.45 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.439 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -101.51 6.08 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 54.52 37.11 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.245 -0.503 . . . . 0.0 113.278 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' ALA . 35.7 m -118.74 151.91 50.69 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.98 113.69 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.818 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -28.54 69.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.572 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -67.61 -22.01 65.37 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.051 0.453 . . . . 0.0 110.715 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -113.59 13.27 18.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.023 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -93.18 129.46 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.752 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -115.73 122.25 44.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.505 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.5 m -109.19 135.18 48.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -122.1 126.21 74.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.274 0.559 . . . . 0.0 111.653 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CD2' HD21 ' A' ' 50' ' ' LEU . 63.9 t80 -134.91 118.64 17.13 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.639 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.42 7.24 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.409 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.39 -28.12 10.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.854 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 170.42 8.28 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 122.659 -0.318 . . . . 0.0 111.365 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -92.78 141.26 28.64 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.54 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -80.49 159.21 25.63 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -56.95 137.19 55.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.801 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.8 p-10 -71.39 -21.12 62.05 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.58 84.88 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' O ' ' HA ' ' A' ' 22' ' ' SER . 25.0 t-105 -171.85 161.08 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.083 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 19' ' ' SER . 63.0 p -67.53 140.43 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.519 0.512 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 61' ' ' LEU . 11.2 p -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.977 0.417 . . . . 0.0 110.447 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.93 -50.42 66.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.2 -1.28 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.551 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -96.7 -8.78 30.56 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.186 -0.321 . . . . 0.0 111.199 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 21.5 m-20 66.37 35.68 5.62 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 175.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 8.0 mp -68.3 -14.98 63.38 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 120.444 -0.502 . . . . 0.0 112.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -99.31 -22.7 15.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.055 0.455 . . . . 0.0 110.348 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -95.34 -47.66 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.569 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 84.3 mm-40 . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.5 tt . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -81.54 137.69 20.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.429 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -109.15 133.34 53.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -132.29 125.18 53.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 121.115 0.483 . . . . 0.0 110.98 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.33 141.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.247 179.052 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.7 ttt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.73 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.8 0.334 . . . . 0.0 110.409 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -111.81 153.13 13.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 66' ' ' ILE . 58.3 m-85 -92.01 134.83 34.45 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.144 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG23 ' HB ' ' A' ' 67' ' ' VAL . 7.3 p -140.14 147.11 23.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.567 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -113.67 151.32 31.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 55.6 t80 -134.28 147.13 50.57 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 27.6 t-20 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 123.002 0.521 . . . . 0.0 112.319 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -139.45 153.4 70.66 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-O 120.576 0.227 . . . . 0.0 110.648 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -88.75 138.73 3.72 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 122.37 2.047 . . . . 0.0 111.934 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.527 HG12 HG13 ' A' ' 17' ' ' VAL . 82.1 t -114.46 123.85 70.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.285 0.564 . . . . 0.0 110.411 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.5 102.13 11.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.405 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG13 HG12 ' A' ' 15' ' ' VAL . 18.5 m -116.32 -174.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -104.44 160.66 14.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.628 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -67.1 -11.17 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -114.46 16.36 17.73 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.592 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -76.5 118.99 19.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.821 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' HG3' ' A' ' 25' ' ' GLN . 73.4 p -81.17 163.71 22.88 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.528 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -60.93 -31.14 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.974 0.416 . . . . 0.0 109.917 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 63.9 t80 -62.48 -49.03 77.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.966 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.4 mt-30 -67.88 -43.54 79.13 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.223 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG11 ' A' ' 17' ' ' VAL . 60.4 tp -56.46 -40.34 74.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.4 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' HB1' ' A' ' 38' ' ' ALA . 33.2 ttpt -58.22 -48.97 78.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.754 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.71 -37.93 89.26 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.587 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -57.52 -51.7 66.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.933 0.397 . . . . 0.0 110.419 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.31 -40.19 86.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -61.67 -47.28 86.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.41 -37.89 88.31 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.162 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.13 -33.84 76.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.01 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -93.66 -16.65 24.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.446 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.51 41.01 10.3 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.118 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 m -129.2 157.54 75.75 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.92 -0.165 . . . . 0.0 110.774 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.43 120.41 7.54 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.349 2.032 . . . . 0.0 111.079 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -68.44 -17.92 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.001 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -76.87 -26.5 54.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.058 0.456 . . . . 0.0 110.398 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -95.43 19.3 11.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 31' ' ' ALA . 17.4 tp -105.93 137.0 44.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.001 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -119.46 121.2 38.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.16 131.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.93 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -127.24 135.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.967 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -147.95 128.93 14.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.169 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 23.96 8.47 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.409 0.443 . . . . 0.0 111.969 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 1.75 78.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.318 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -125.99 177.29 6.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.145 0.473 . . . . 0.0 111.043 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -109.05 121.61 45.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.745 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.21 159.3 23.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.59 25.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.042 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.0 p-10 -64.58 -40.58 95.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.121 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.69 71.58 4.22 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.99 0.9 . . . . 0.0 110.82 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -155.69 138.76 15.5 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.202 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 58' ' ' ASN . 3.2 t -78.52 143.2 36.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.114 0.483 . . . . 0.0 111.551 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.671 HG23 HD23 ' A' ' 61' ' ' LEU . 13.5 p -68.9 -23.12 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 57.1 tt0 -65.94 -57.03 8.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.739 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.402 ' H ' HG23 ' A' ' 55' ' ' THR . 17.2 m120 -77.58 0.07 24.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.794 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 10.6 t -96.76 -12.47 23.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 52.99 47.74 23.98 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.671 HD23 HG23 ' A' ' 56' ' ' VAL . 2.9 mm? -75.06 1.52 12.88 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.655 0.741 . . . . 0.0 109.85 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -75.79 -33.47 60.15 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.471 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -124.88 -38.05 2.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.037 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -177.605 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.1 tt . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' HB ' HG23 ' A' ' 5' ' ' VAL . 26.3 t -81.39 130.52 35.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.728 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -100.92 108.29 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 30.7 mt -111.3 119.16 59.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 121.14 0.495 . . . . 0.0 111.143 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 27.5 m -119.86 147.78 23.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.282 -179.76 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.1 ttt . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.95 111.03 34.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 120.815 0.341 . . . . 0.0 110.67 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.72 168.95 2.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.823 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 66' ' ' ILE . 83.8 m-85 -117.76 135.49 54.01 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' ' HA3' ' A' ' 12' ' ' GLY . 34.5 m -133.0 148.93 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 112.024 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HE ' HG21 ' A' ' 66' ' ' ILE . 93.5 mtt180 -110.17 155.13 22.38 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -135.31 105.84 6.45 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.092 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.679 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.438 -1.192 0 CA-C-O 120.797 0.109 . . . . 0.0 113.184 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -139.44 154.0 71.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-O 120.517 0.199 . . . . 0.0 110.872 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.27 145.62 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.623 2.215 . . . . 0.0 112.021 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.22 122.03 63.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.97 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -93.14 113.53 25.79 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 HD13 ' A' ' 26' ' ' LEU . 23.9 m -127.69 176.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -85.45 168.67 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.276 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.04 -21.39 62.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.071 0.462 . . . . 0.0 111.148 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -109.69 35.5 3.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.004 0.431 . . . . 0.0 110.952 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -85.4 129.26 34.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.655 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 t -83.65 153.88 24.01 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.92 -39.07 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 120.836 0.35 . . . . 0.0 110.47 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.77 -43.95 97.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 97.8 mt-30 -63.99 -47.84 78.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 17' ' ' VAL . 53.5 tp -57.04 -43.32 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.37 -46.9 85.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.16 -35.86 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.385 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.6 t -60.45 -45.7 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.214 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.31 -46.85 94.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.209 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -59.77 -45.08 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.011 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -63.99 -42.16 97.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.952 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.81 -49.97 72.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.742 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.07 -10.88 56.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.93 51.57 6.22 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.439 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 32.5 m -131.96 157.27 78.67 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -80.21 126.94 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.612 2.208 . . . . 0.0 111.719 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.14 47.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.22 -55.1 37.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.137 0.494 . . . . 0.0 111.293 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -99.69 5.17 45.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.456 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.91 130.96 39.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.567 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -121.62 132.03 54.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.694 0.283 . . . . 0.0 110.681 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.18 127.7 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.826 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.11 126.18 73.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.742 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.635 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 43.5 t80 -119.62 108.5 14.55 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.674 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 65.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.101 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.17 -10.28 35.55 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -152.2 156.87 40.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.976 0.888 . . . . 0.0 112.267 -178.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.82 168.63 17.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.102 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD13 ' SG ' ' A' ' 59' ' ' CYS . 24.4 mt -119.98 161.52 20.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.23 150.42 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.176 174.317 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -86.53 -24.37 25.53 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.71 70.74 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.685 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -164.43 156.9 16.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.189 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -68.86 143.9 54.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 112.961 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG23 HD22 ' A' ' 61' ' ' LEU . 10.9 p -80.79 -27.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.963 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 19.5 tm0? -63.78 -44.48 93.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.652 -176.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.65 -0.6 43.3 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.7 t -98.27 -14.37 20.3 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.986 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.79 39.64 4.63 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -65.77 -18.12 65.1 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.01 -0.96 49.89 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.036 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -101.41 -53.1 3.08 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 85.2 mm-40 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 120.906 0.384 . . . . 0.0 111.465 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.448 HG21 ' HE ' ' A' ' 6' ' ' ARG . 21.4 tt . . . . . 0 N--CA 1.433 -1.301 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG21 HD23 ' A' ' 61' ' ' LEU . 20.1 t -84.09 133.96 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.601 0.239 . . . . 0.0 110.385 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -98.64 108.74 21.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.893 0.378 . . . . 0.0 110.366 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 49.2 mt -107.51 131.64 57.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.78 136.04 61.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.127 0.489 . . . . 0.0 110.974 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 C--N 1.31 -1.124 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.297 179.635 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.944 0.402 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 68.3 mt -126.84 114.71 38.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.864 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -93.82 145.88 7.29 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 120.983 0.42 . . . . 0.0 110.948 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 67' ' ' VAL . 19.2 m-85 -93.98 127.31 39.69 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.519 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.93 140.22 39.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.102 0.477 . . . . 0.0 112.275 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HG2' ' HA2' ' A' ' 12' ' ' GLY . 16.2 mtm180 -115.22 136.46 53.08 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.534 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -100.34 146.36 27.05 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 11.1 t30 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.44 -1.067 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -138.8 146.24 49.32 Favored Pre-proline 0 C--N 1.312 -1.052 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -81.95 132.19 7.31 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.537 2.158 . . . . 0.0 112.426 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.231 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 37.4 tt0 -78.93 132.63 36.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -129.13 -179.18 2.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.34 166.88 10.62 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 p -72.91 -2.72 21.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.881 0.372 . . . . 0.0 111.67 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -120.6 14.25 11.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.943 0.402 . . . . 0.0 110.758 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -78.7 117.43 19.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.145 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.6 m -80.92 152.58 28.0 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.1 mm -59.93 -29.78 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.024 0.44 . . . . 0.0 110.291 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.74 -44.38 97.02 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.778 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.3 mm100 -71.84 -38.36 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.543 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.38 -39.68 84.09 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -59.32 -51.16 71.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.477 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 26.6 mt-10 -56.55 -50.63 71.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.739 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.0 t -51.89 -52.49 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.382 0.426 . . . . 0.0 111.458 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.58 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -58.19 -55.59 33.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.018 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 17.1 ptpt -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -65.5 -46.71 78.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 110.584 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -79.02 -30.7 44.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.238 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.22 34.09 4.65 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.05 164.98 15.87 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.64 112.9 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.62 2.213 . . . . 0.0 112.2 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.71 64.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.14 -36.85 83.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -114.87 23.8 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.265 0.555 . . . . 0.0 110.887 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 31' ' ' ALA . 24.8 tp -96.14 137.05 35.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.63 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -119.59 136.1 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.4 m -106.06 132.0 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.282 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -128.41 132.25 68.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.83 128.24 20.03 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.27 17.06 9.95 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.978 0.511 . . . . 0.0 111.41 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 8.49 67.17 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.793 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.66 170.71 15.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 111.329 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.32 150.17 21.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.119 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 23' ' ' ILE . 80.9 mt -102.08 146.73 27.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.004 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -61.51 121.42 12.67 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.041 176.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.574 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p30 -77.98 -31.66 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -85.5 -9.22 57.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' ' 22' ' ' SER . 2.0 t90 -99.59 171.89 7.64 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.692 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -80.91 140.07 35.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.35 0.595 . . . . 0.0 112.598 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.03 -16.65 15.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.675 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -59.8 -43.89 94.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.32 -19.42 36.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.3 m -72.97 -36.98 67.21 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 60.34 91.01 0.06 Allowed 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.951 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 67' ' ' VAL . 73.8 mt -113.81 12.65 18.29 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -93.43 -46.24 7.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.779 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -101.14 -17.21 16.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 120.784 0.326 . . . . 0.0 111.182 -178.591 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 4' ' ' PHE . 11.8 tt . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 61' ' ' LEU . 3.9 t -84.88 139.84 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -109.73 124.99 52.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -118.41 118.98 59.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 120.998 0.428 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -117.14 146.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.078 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.665 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 22.8 ptt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -116.01 121.79 68.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.649 0.261 . . . . 0.0 110.395 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -114.83 156.35 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.258 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.91 138.92 32.03 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.2 p -137.89 135.71 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.024 0.44 . . . . 0.0 111.256 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 66' ' ' ILE . 30.5 mtp180 -105.58 121.65 44.41 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.675 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -95.96 150.57 20.31 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.155 178.82 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -114.65 148.21 39.83 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.7 127.52 10.28 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.707 2.271 . . . . 0.0 112.91 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 HH11 ' A' ' 33' ' ' ARG . 69.9 t -120.24 118.79 57.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.176 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.48 126.46 31.69 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.773 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 26' ' ' LEU . 30.0 m -128.26 178.76 4.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -107.26 175.23 5.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 p -67.26 -32.89 74.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.31 0.576 . . . . 0.0 110.507 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.34 11.71 38.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.521 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.2 m -68.19 101.59 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 1.8 m -64.06 150.32 45.65 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.0 mm -56.58 -33.66 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.094 0.473 . . . . 0.0 110.108 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.88 -49.25 78.47 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.784 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.2 mt-30 -68.05 -39.98 82.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.868 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HG11 ' A' ' 17' ' ' VAL . 51.3 tp -54.96 -43.42 73.44 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HZ3' ' HB3' ' A' ' 27' ' ' LYS . 5.7 ttpm? -53.5 -44.96 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.115 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.45 -27.68 59.01 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.866 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.8 t -66.74 -41.04 87.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.484 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.28 -36.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.014 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.24 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.415 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -66.0 -32.62 74.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.734 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.512 HH11 HG22 ' A' ' 15' ' ' VAL . 58.5 ttt180 -66.57 -37.47 85.02 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.361 0.6 . . . . 0.0 110.379 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -93.34 -6.47 47.25 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.33 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.15 38.51 96.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.126 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.35 156.72 44.03 Favored Pre-proline 0 C--N 1.316 -0.85 0 O-C-N 122.904 -0.174 . . . . 0.0 110.872 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.17 109.75 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.514 2.142 . . . . 0.0 111.737 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.11 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.368 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.64 -36.07 81.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.28 21.55 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -100.5 140.01 35.37 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -128.74 129.54 45.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.454 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.16 132.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -134.41 127.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.272 0.558 . . . . 0.0 110.969 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 50' ' ' LEU . 86.3 t80 -148.88 141.77 24.71 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 11.32 7.44 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.405 0.441 . . . . 0.0 110.653 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.84 64.04 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.142 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.39 -173.93 3.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.371 0.585 . . . . 0.0 111.739 -178.326 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -79.18 142.0 36.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.198 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 45' ' ' PHE . 85.5 mt -82.95 -166.49 1.35 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.633 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -97.53 96.01 8.02 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.52 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 24.3 m-80 -57.5 -32.44 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.69 4.71 50.72 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' SER . 13.2 t-105 -116.35 168.65 9.95 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.419 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -75.03 156.26 36.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.225 0.536 . . . . 0.0 112.017 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.69 HG23 HD12 ' A' ' 61' ' ' LEU . 12.3 p -80.23 -30.61 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 48.9 tt0 -70.62 -43.39 69.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.148 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.35 -1.81 46.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.064 0.459 . . . . 0.0 110.629 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.22 -1.29 57.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.23 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 14.9 m-20 68.97 11.57 8.38 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.909 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 HG23 ' A' ' 56' ' ' VAL . 61.5 mt -65.79 -16.86 64.19 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.959 0.409 . . . . 0.0 112.086 -177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 25.2 t70 -84.17 -28.45 27.37 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -101.49 -22.78 14.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.082 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 64.6 mm-40 . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 120.799 0.333 . . . . 0.0 111.591 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 61' ' ' LEU . 7.5 t -82.3 139.52 17.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.241 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -115.82 139.93 49.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.96 0.41 . . . . 0.0 110.529 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.4 124.58 41.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.456 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 148.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.308 -1.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.986 179.727 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 63.3 ttp . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.95 121.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 120.777 0.322 . . . . 0.0 110.758 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.3 135.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.79 143.08 32.03 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.54 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 12.1 p -141.09 140.17 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-O 121.147 0.498 . . . . 0.0 111.704 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -102.02 103.91 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 61.3 t80 -91.25 142.73 27.4 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.435 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.8 t30 . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.443 -0.844 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -92.87 152.37 41.53 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.643 0.259 . . . . 0.0 110.875 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -86.92 128.18 2.74 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.487 2.124 . . . . 0.0 112.988 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -110.8 119.5 59.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.965 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.1 119.26 23.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -123.09 165.8 18.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.38 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -94.56 160.93 14.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 49.7 m -68.33 -16.67 64.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.781 0.324 . . . . 0.0 111.599 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.94 13.94 24.44 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.571 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -71.38 108.86 5.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -63.9 152.54 39.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.932 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 54' ' ' TRP . 49.1 mm -62.24 -32.75 55.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 109.943 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.6 t80 -68.38 -40.18 81.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.4 mm-40 -69.06 -37.91 78.77 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.79 -38.36 78.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.896 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -58.75 -46.93 86.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.126 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.698 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 25' ' ' GLN . 98.9 t -57.42 -52.84 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 69' ' ' ILE . 59.3 t -65.62 -40.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.486 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -63.55 -37.99 89.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -67.85 -47.72 68.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -62.37 -48.6 79.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.336 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -80.58 -33.04 36.34 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.524 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.78 44.46 4.51 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.53 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.43 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 28.6 m -125.82 157.1 70.1 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.63 119.31 6.32 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 111.387 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.85 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.52 -19.89 24.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 53.7 tp -61.14 131.4 50.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.545 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -106.43 133.08 51.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.319 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.73 130.66 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 111.074 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -129.45 135.28 61.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -138.75 126.57 22.25 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.251 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.82 18.29 9.6 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.11 0.564 . . . . 0.0 111.658 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.47 -0.05 65.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.852 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -126.61 176.11 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.289 . . . . 0.0 110.717 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -113.46 131.39 56.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.41 172.13 14.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.163 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.598 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -98.28 136.18 38.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.251 178.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.0 p30 -62.14 -26.16 68.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.46 10.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.496 ' O ' HG12 ' A' ' 23' ' ' ILE . 17.2 t-105 -109.61 161.32 15.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.49 0.186 . . . . 0.0 110.604 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 2.9 t -95.01 150.95 19.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.797 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 HD22 ' A' ' 61' ' ' LEU . 14.6 p -71.76 -28.02 29.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.735 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.6 tp-100 -71.35 -48.7 48.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -80.68 -2.55 47.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 9.2 t -94.31 -24.71 17.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.53 80.61 0.23 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.343 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.4 HD22 HG23 ' A' ' 56' ' ' VAL . 10.7 mp -102.29 -6.06 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 10.4 t0 -70.7 -44.95 65.91 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -112.12 -176.45 2.93 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.792 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 N--CA 1.472 0.632 0 O-C-N 123.57 0.543 . . . . 0.0 111.588 178.29 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 t -81.48 138.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.76 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -114.27 122.14 45.83 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 37.7 mt -122.93 118.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.109 0.48 . . . . 0.0 110.26 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 62.4 t -109.5 133.35 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.082 -177.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 50.0 tp60 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.893 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.659 0.266 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 59.6 mt -105.25 129.1 58.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.95 146.6 26.82 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.274 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' C ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -81.42 133.67 35.44 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG22 ' HB ' ' A' ' 67' ' ' VAL . 88.5 t -131.94 130.91 61.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.692 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 12.6 ptp180 -109.7 121.47 45.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.026 0.441 . . . . 0.0 110.289 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -96.62 126.88 42.1 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.469 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.363 0.601 . . . . 0.0 110.299 178.303 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.843 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -123.51 150.36 60.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-O 120.601 0.239 . . . . 0.0 110.949 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.3 129.7 7.76 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.473 2.115 . . . . 0.0 112.085 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.78 122.46 68.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.291 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.75 118.66 29.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.113 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.1 158.78 20.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.005 0.431 . . . . 0.0 111.434 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.66 163.09 13.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 p -61.63 -22.85 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.423 . . . . 0.0 111.16 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.94 18.33 17.34 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.2 m -75.01 111.06 9.84 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -72.4 150.27 43.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.76 -34.02 42.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.997 0.427 . . . . 0.0 110.482 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.74 -46.93 86.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.122 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.8 mm-40 -67.79 -43.29 80.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.65 -43.6 80.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.46 -47.07 85.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.966 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.4 -39.27 91.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.3 t -58.1 -49.06 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.67 0.271 . . . . 0.0 110.594 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.21 -37.89 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 92.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.64 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -68.07 -36.79 80.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.667 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.8 tmt_? -58.44 -41.98 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.952 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -91.44 -14.52 30.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.965 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.64 45.88 26.88 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.227 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.5 m -127.59 158.18 70.79 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 122.624 0.37 . . . . 0.0 110.306 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 36.4 Cg_endo -66.88 120.16 7.23 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.437 2.091 . . . . 0.0 111.798 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.69 -19.01 60.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.671 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.71 -45.07 94.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.362 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.29 20.55 12.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.0 tp -97.24 136.18 38.11 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -124.69 132.08 53.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.073 0.463 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.69 133.67 38.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.616 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -123.38 127.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.138 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 83.1 t80 -139.08 124.16 18.94 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.972 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.43 23.76 11.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.416 . . . . 0.0 112.048 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 12.21 63.89 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.308 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 18.6 ptpt -133.02 174.93 9.83 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.0 127.65 53.66 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.0 159.05 31.23 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.617 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -82.81 138.77 33.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.238 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.43 -29.24 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -93.88 62.59 3.17 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.333 0.587 . . . . 0.0 111.087 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 33.7 t-105 -162.89 158.27 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.289 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -79.14 144.16 34.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.283 0.563 . . . . 0.0 112.139 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.58 -28.27 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.405 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.81 -35.7 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.851 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.51 -18.29 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.444 . . . . 0.0 110.763 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.522 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 85.0 m -82.68 -20.68 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 11.7 m-20 58.76 71.95 0.56 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.293 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 10.4 mp -86.15 0.85 52.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.545 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.62 -3.23 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 0.0 110.558 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 15.0 mm100 -78.13 -39.35 41.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.101 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.559 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 ' HE ' ' A' ' 6' ' ' ARG . 17.2 tt . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HB ' HG22 ' A' ' 5' ' ' VAL . 21.5 t -90.84 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.473 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 12.0 m170 -107.56 131.95 53.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.1 120.79 41.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.111 0.481 . . . . 0.0 110.508 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -122.15 147.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.855 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.312 -1.026 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.15 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 27.0 ttt . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.38 117.23 54.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.363 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.84 151.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.919 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HB2' HG13 ' A' ' 66' ' ' ILE . 58.0 m-85 -88.88 140.72 29.15 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.088 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -132.24 133.38 60.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 111.513 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HG3' HD13 ' A' ' 66' ' ' ILE . 77.1 mtp180 -110.96 107.8 17.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.557 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.81 143.86 31.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 8.1 t30 . . . . . 0 N--CA 1.481 1.121 0 C-N-CA 123.194 0.597 . . . . 0.0 112.424 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 7.0 p90 -140.08 159.51 63.94 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 116.692 0.246 . . . . 0.0 110.916 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.05 128.94 6.67 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.761 2.307 . . . . 0.0 111.451 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CE1' ' A' ' 13' ' ' PHE . 58.3 t -109.19 122.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.62 113.72 26.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.547 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.26 -179.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -98.31 175.32 6.1 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.998 0.427 . . . . 0.0 110.713 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 6.1 p -80.31 -3.46 49.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 110.522 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -115.26 14.15 16.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.9 m -79.41 102.54 8.77 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 121.142 0.496 . . . . 0.0 110.998 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 7.3 m -66.49 152.66 44.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 47.4 mm -57.22 -31.86 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 59.5 t80 -63.84 -47.03 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.396 0.617 . . . . 0.0 109.421 176.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm100 -66.25 -38.91 89.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.445 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -54.25 -45.97 72.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.73 -46.09 88.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.62 -34.14 76.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.153 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.0 t -61.0 -47.99 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.035 0.445 . . . . 0.0 109.808 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.67 -38.44 80.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.7 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.56 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -75.27 -24.67 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.362 . . . . 0.0 110.988 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.187 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.72 -19.3 20.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.617 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.59 46.83 6.23 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.736 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.48 154.05 62.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.471 0.177 . . . . 0.0 110.594 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.43 115.65 3.64 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.602 2.201 . . . . 0.0 111.826 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.26 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.986 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 0.0 110.475 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.05 26.28 10.57 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.732 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.0 tp -122.11 142.97 49.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.726 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -133.77 136.49 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 0.0 111.472 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.04 134.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.395 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.9 135.91 62.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.288 0.566 . . . . 0.0 111.216 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 50' ' ' LEU . 88.9 t80 -152.28 128.27 10.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.268 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.56 21.88 12.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.364 0.415 . . . . 0.0 111.882 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.99 -3.0 76.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.087 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -126.15 -175.66 3.43 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.56 140.98 39.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.565 ' HB2' HG21 ' A' ' 23' ' ' ILE . 86.6 mt -76.42 150.82 36.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.38 0.609 . . . . 0.0 111.843 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 9.2 ptm180 -61.77 108.89 1.08 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.519 -1.219 . . . . 0.0 110.388 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.5 p30 -60.45 -22.54 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.215 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.09 -18.52 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.546 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.509 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 17.4 t-105 -93.22 157.67 16.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.761 0.315 . . . . 0.0 111.747 -175.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 4.4 t -86.09 145.74 26.92 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.812 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.47 -29.2 30.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.99 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.592 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -63.92 -54.15 39.21 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.53 -176.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -71.31 -19.71 62.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.594 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.4 -15.71 59.88 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.038 0.447 . . . . 0.0 110.317 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.6 m-20 54.84 50.49 15.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.159 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.22 -27.31 63.81 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.975 0.417 . . . . 0.0 110.784 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.37 -26.89 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.887 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -102.65 7.14 39.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.958 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 75.8 mm-40 . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.1 tt . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.914 0.387 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 5' ' ' VAL . 58.6 t -84.28 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -116.31 151.33 36.07 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.6 mt -139.11 123.09 19.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.933 0.397 . . . . 0.0 110.56 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -107.17 144.0 16.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.313 -0.988 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.195 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.473 HG12 ' HG2' ' A' ' 16' ' ' GLU . 77.8 mt -100.03 117.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.08 155.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' C ' HG13 ' A' ' 66' ' ' ILE . 76.3 m-85 -92.18 130.02 37.99 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.78 129.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.264 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.5 ptp180 -114.89 119.45 36.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.149 0.499 . . . . 0.0 109.723 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -91.29 145.93 24.24 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.38 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.489 1.51 0 C-N-CA 124.368 1.067 . . . . 0.0 112.909 177.432 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.219 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -116.61 154.86 49.28 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.4 125.49 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.729 2.286 . . . . 0.0 112.522 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -112.92 117.03 54.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.815 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 2' ' ' ILE . 2.1 tm-20 -90.69 113.75 25.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.192 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.26 -174.33 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.444 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -94.21 168.22 11.05 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.5 ' HB3' ' OE1' ' A' ' 57' ' ' GLN . 66.3 m -83.27 7.76 15.43 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.491 0.662 . . . . 0.0 109.653 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.97 4.23 8.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.971 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -67.73 114.91 6.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 15.9 m -69.46 148.67 49.22 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 50.2 mm -54.58 -36.68 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 56.3 t80 -64.57 -41.97 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 0.0 110.232 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.4 mt-30 -65.17 -41.96 94.13 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.376 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.235 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.14 -40.28 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.049 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.9 -35.55 80.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.9 t -64.95 -49.9 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.259 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.87 -36.68 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.22 60.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.384 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -29.6 64.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -64.38 -38.89 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.241 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.02 -20.15 16.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.766 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.56 45.83 5.39 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.1 m -123.94 157.5 63.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 C-N-CA 122.2 0.2 . . . . 0.0 110.565 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 43.6 Cg_endo -69.53 113.66 3.41 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.414 2.076 . . . . 0.0 112.063 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -28.45 68.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.896 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.74 -40.89 79.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.154 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -94.69 16.36 15.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.56 136.84 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.701 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -122.84 131.12 53.61 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.568 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.38 116.15 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.158 0.504 . . . . 0.0 110.61 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.97 136.39 54.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.306 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -128.25 107.23 9.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.46 -63.58 0.34 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.973 0.796 . . . . 0.0 111.187 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.03 2.22 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -120.76 179.0 4.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.353 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -121.93 131.13 53.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' HG21 ' A' ' 23' ' ' ILE . 27.7 mt -71.4 142.09 50.32 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.852 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -57.8 113.31 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.701 177.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 p-10 -56.7 -33.01 66.04 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.74 17.36 19.51 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.605 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 6.7 t90 -117.69 166.47 12.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.148 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -68.95 144.32 54.19 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.509 HG23 HD12 ' A' ' 61' ' ' LEU . 14.7 p -79.09 -20.75 12.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.416 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.5 ' OE1' ' HB3' ' A' ' 19' ' ' SER . 24.3 tt0 -58.69 -47.17 85.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 13.4 t-20 -85.05 8.06 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.333 0.587 . . . . 0.0 110.903 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' A' ' 23' ' ' ILE . 84.4 m -93.29 -15.76 25.46 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.38 38.14 27.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.578 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.512 HD13 ' CG2' ' A' ' 67' ' ' VAL . 51.0 mt -71.83 2.83 4.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.439 0.638 . . . . 0.0 111.109 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.01 -18.43 13.36 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.479 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -107.34 -51.73 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -175.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.0 tt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.2 t -88.16 132.64 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 9.4 m170 -106.68 108.59 20.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.15 119.92 53.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.29 0.567 . . . . 0.0 111.548 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.88 140.05 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.818 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 C--N 1.318 -0.783 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.373 176.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 87.2 mt -82.94 112.1 20.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 62' ' ' ASP . 34.5 m -101.68 168.23 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.302 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' C ' HG13 ' A' ' 66' ' ' ILE . 28.2 m-85 -104.46 125.3 50.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.126 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 67' ' ' VAL . 94.7 t -132.25 142.84 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.654 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -130.3 122.17 27.46 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.369 0.604 . . . . 0.0 110.842 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -87.25 152.25 22.46 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.198 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.166 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -139.13 143.11 35.35 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-O 120.771 0.32 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.57 137.55 14.64 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.363 2.042 . . . . 0.0 111.938 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.75 119.25 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.972 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 41.7 tt0 -84.42 111.97 19.94 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.95 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.24 174.39 4.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.07 162.26 28.69 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 m -62.0 -25.97 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.376 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 70.84 1.08 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.954 0.883 . . . . 0.0 111.326 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -103.83 107.39 18.24 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.038 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -61.27 144.66 53.44 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.538 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 44.8 mm -54.1 -32.38 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 120.797 0.332 . . . . 0.0 111.184 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.8 t80 -62.44 -48.96 77.36 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.069 0.461 . . . . 0.0 110.03 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.0 mm100 -67.03 -39.43 86.99 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.446 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.44 -41.75 76.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.25 -42.71 91.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.038 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.32 -31.82 66.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.955 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -59.45 -46.72 92.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.99 0.424 . . . . 0.0 110.402 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.96 -39.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.225 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.99 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.614 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -66.61 -40.36 88.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.258 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -61.6 -37.86 85.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.912 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -94.6 -11.7 28.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.899 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 45.21 66.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.64 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.6 m -122.95 156.78 61.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.55 0.214 . . . . 0.0 110.783 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.7 125.0 11.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.291 1.994 . . . . 0.0 111.729 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.16 48.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.486 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.94 -51.61 31.37 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.083 0.468 . . . . 0.0 110.344 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -90.64 11.3 22.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.723 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -95.67 135.2 37.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.213 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -121.48 141.07 51.38 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.887 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 HG12 ' A' ' 69' ' ' ILE . 34.8 m -118.02 130.99 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 39.8 mm -124.65 132.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 75.6 t80 -151.4 135.72 16.83 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.0 18.68 4.87 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -5.97 79.32 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.285 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -170.31 3.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.58 151.05 20.35 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.399 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -97.66 159.1 15.13 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.061 0.458 . . . . 0.0 110.911 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' HB2' ' A' ' 54' ' ' TRP . 7.8 ptm180 -63.46 122.84 17.24 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.636 175.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p30 -66.54 -22.34 66.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -92.47 17.42 10.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 23.8 t-105 -119.59 150.73 39.81 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.149 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -73.05 150.22 42.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.848 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.17 -31.1 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.591 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' SER . 26.3 tp60 -60.77 -34.46 74.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.293 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -81.69 -17.3 48.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.56 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.531 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 61.1 m -97.47 -16.24 20.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 57.45 64.32 1.62 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD23 HG22 ' A' ' 67' ' ' VAL . 10.2 mp -83.2 8.52 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 110.765 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' HB3' HG12 ' A' ' 3' ' ' VAL . 8.0 p-10 -115.07 0.53 13.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.982 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -119.16 -64.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.172 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -174.851 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 4' ' ' PHE . 17.0 tt . . . . . 0 N--CA 1.436 -1.169 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 HD23 ' A' ' 61' ' ' LEU . 13.5 t -80.89 111.04 17.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 12.1 m170 -84.26 110.33 18.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.332 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.418 HG12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -114.38 128.59 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 120.977 0.418 . . . . 0.0 111.511 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -133.2 154.26 39.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.931 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.404 HE22 ' HB ' ' A' ' 36' ' ' VAL . 7.5 tt0 . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.936 0.398 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.47 118.11 49.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 13.1 m -104.0 156.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.496 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -101.96 138.83 38.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.886 0.374 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.87 129.5 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-O 121.487 0.66 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -106.45 101.92 11.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.681 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.86 121.24 25.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.68 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 121.4 0.619 . . . . 0.0 109.812 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.882 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 26.5 p90 -94.34 154.44 40.35 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-O 120.688 0.28 . . . . 0.0 111.501 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 1.2 Cg_endo -86.67 135.32 4.14 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.032 2.488 . . . . 0.0 112.43 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.87 130.71 74.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.343 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.93 133.16 34.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.041 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.42 172.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.86 168.26 9.4 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 p -64.96 -19.19 65.84 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.12 7.24 21.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.678 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -64.24 111.47 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 111.136 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 22.9 m -72.71 153.66 41.06 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.944 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.31 -33.81 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.036 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 67.2 t80 -60.45 -46.5 89.84 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.986 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.6 mm-40 -64.62 -44.58 90.09 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.135 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 tp -57.5 -42.05 81.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.98 -46.02 89.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.869 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.15 -39.68 93.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.369 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.0 t -59.01 -48.03 88.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.998 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.61 -37.96 75.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -53.52 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.672 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 62.8 pttt -66.63 -30.15 70.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.93 -31.12 69.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -101.41 -3.17 29.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.388 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.62 34.0 63.31 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.664 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.97 157.55 48.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 O-C-N 122.654 -0.321 . . . . 0.0 111.021 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.94 127.79 12.53 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.338 2.025 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.42 45.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 111.15 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.2 -35.02 75.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.636 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -107.59 25.68 11.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.31 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.3 tp -103.96 137.86 41.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.48 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -107.34 139.48 41.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.226 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 m -120.68 118.31 56.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.224 0.535 . . . . 0.0 110.939 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -122.23 136.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -145.54 126.6 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.612 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.15 25.17 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.418 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.36 -8.55 77.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.131 -0.557 . . . . 0.0 113.526 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.53 35.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.123 0.461 . . . . 0.0 111.772 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.55 140.25 39.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -87.06 133.95 33.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.63 133.37 54.77 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.07 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.5 p30 -65.4 -28.95 69.62 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -102.62 73.01 1.27 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.57 0.7 . . . . 0.0 111.171 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 22' ' ' SER . 57.7 t-105 -157.44 150.68 23.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.524 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -78.17 138.67 38.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.501 0.667 . . . . 0.0 111.908 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG22 HD23 ' A' ' 61' ' ' LEU . 10.2 p -74.8 -22.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.571 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 5.7 tp-100 -68.02 -42.68 80.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 -176.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.87 -6.52 49.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 111.099 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -88.43 -16.71 32.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.649 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 11.5 m-20 49.76 51.63 16.14 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . 3.4 mm? -61.06 -24.09 65.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.722 0.296 . . . . 0.0 111.277 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.28 -32.0 73.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -99.6 -37.4 9.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.25 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 67.6 mm-40 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 0.0 111.152 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.92 129.4 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.724 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -100.7 108.54 20.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.027 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -116.23 124.43 72.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -135.4 148.63 28.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.444 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.396 -179.521 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.63 123.0 48.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 62' ' ' ASP . 32.8 m -111.66 165.97 6.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -111.6 137.33 49.6 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.467 HG12 ' HB ' ' A' ' 67' ' ' VAL . 34.5 m -134.49 145.32 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-O 121.309 0.576 . . . . 0.0 111.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -104.3 147.94 26.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.636 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 21.0 t80 -130.2 143.12 50.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' VAL . 5.5 p-10 . . . . . 0 C--N 1.32 -0.702 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.083 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -139.85 150.62 63.26 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.985 0.393 . . . . 0.0 111.541 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -80.29 139.79 13.36 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.732 2.288 . . . . 0.0 112.13 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.48 127.03 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.72 116.12 23.06 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.24 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.525 HG11 HD13 ' A' ' 26' ' ' LEU . 18.7 m -125.21 174.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.69 176.21 5.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.967 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -70.18 -35.1 73.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.906 0.384 . . . . 0.0 111.23 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -97.04 10.95 37.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -66.89 116.38 7.69 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.274 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -71.13 150.44 45.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.8 mm -60.61 -38.87 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.188 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.64 -40.82 96.11 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 mm100 -66.26 -39.87 89.78 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.984 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HG11 ' A' ' 17' ' ' VAL . 35.1 tp -59.97 -48.59 81.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.44 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 41' ' ' LEU . 39.4 ttpt -60.98 -37.46 82.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 109.613 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -65.5 -43.08 91.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.154 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 25' ' ' GLN . 84.0 t -60.99 -48.6 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.59 -36.77 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.865 0.364 . . . . 0.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.73 31.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.148 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 48.5 pttt -66.24 -30.43 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.276 . . . . 0.0 111.238 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -63.76 -47.45 80.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.838 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -82.61 -15.53 51.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.95 29.46 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.72 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -118.35 163.0 27.35 Favored Pre-proline 0 C--N 1.317 -0.832 0 C-N-CA 122.285 0.234 . . . . 0.0 110.414 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.08 119.05 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.671 2.248 . . . . 0.0 112.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.77 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.83 -52.99 61.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.365 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -106.19 32.18 4.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.296 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 30.1 tp -96.69 130.82 43.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -116.4 122.52 45.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.901 0.381 . . . . 0.0 111.274 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 69' ' ' ILE . 18.9 m -100.79 119.98 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -115.7 128.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 0.0 111.217 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -133.7 122.15 22.97 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.224 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.19 15.57 8.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.124 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.63 -2.52 49.32 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.26 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -132.15 170.33 15.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.968 0.384 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.29 136.66 39.83 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 61' ' ' LEU . 75.6 mt -71.28 154.02 41.95 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.554 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 54' ' ' TRP . 5.4 ptm180 -65.32 108.56 1.97 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.712 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p30 -65.83 -21.04 66.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.421 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.96 4.97 48.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.521 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.2 t-105 -115.1 177.23 4.73 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.654 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -83.94 160.59 21.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.115 0.566 . . . . 0.0 111.619 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.38 -38.05 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.21 -32.51 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.979 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -67.99 -17.14 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.0 110.174 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.9 t -88.38 -15.58 35.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.187 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 56.37 47.14 19.62 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.597 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mm? -51.54 -56.24 14.57 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' HG12 ' A' ' 3' ' ' VAL . 27.0 t70 -62.2 -26.0 68.11 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.048 0.452 . . . . 0.0 111.818 -177.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.77 11.12 30.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.011 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PHE . 19.6 tt . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' HG12 ' A' ' 5' ' ' VAL . 18.0 t -86.01 136.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.639 0.256 . . . . 0.0 110.586 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -99.94 107.99 20.11 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 39.1 mt -105.77 119.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-O 121.117 0.484 . . . . 0.0 110.933 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' ' 8' ' ' ASN . 34.9 m -124.65 137.65 56.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.8 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 120.878 0.37 . . . . 0.0 110.527 178.344 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.091 0.472 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.86 113.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.57 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.44 157.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.04 136.46 34.3 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.682 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB ' ' A' ' 67' ' ' VAL . 46.6 t -133.53 130.23 56.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.689 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 57.0 mtp180 -103.68 103.2 13.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.313 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -80.95 134.72 35.76 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 N--CA 1.468 0.443 0 C-N-CA 123.468 0.707 . . . . 0.0 109.345 -178.156 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -120.51 147.17 44.84 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.7 132.0 22.5 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.473 2.115 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -117.71 125.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.394 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.82 121.86 35.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.88 0.372 . . . . 0.0 111.316 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.87 171.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.455 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.44 168.99 12.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.8 p -64.2 -39.32 93.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.231 0.539 . . . . 0.0 111.63 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.0 17.3 8.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.076 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.08 123.89 23.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.051 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 84.0 p -79.13 160.96 26.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 50' ' ' LEU . 48.9 mm -60.68 -30.11 46.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.893 0.378 . . . . 0.0 110.61 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 76.3 t80 -66.56 -46.67 75.29 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 mt-30 -61.58 -44.04 97.75 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.04 -44.56 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.418 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.42 -37.26 86.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.1 t -61.44 -46.1 97.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 110.092 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.74 -37.59 69.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.469 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -51.99 67.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.177 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -69.16 -28.4 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 110.656 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -65.95 -33.33 75.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.852 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -102.21 -7.1 22.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.144 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.75 41.95 81.32 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.855 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.83 161.79 44.57 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.107 0.163 . . . . 0.0 110.804 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.59 127.65 9.75 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.669 2.246 . . . . 0.0 111.697 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.0 -13.5 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.31 -58.33 8.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.116 0.484 . . . . 0.0 110.592 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -92.86 19.87 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.566 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.2 tp -92.98 125.61 37.66 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.483 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -105.97 132.97 51.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.543 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.21 127.47 67.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.5 mm -124.48 126.15 71.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 111.023 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 88.8 t80 -135.9 120.0 17.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.65 21.28 9.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.11 0.481 . . . . 0.0 110.982 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.6 11.73 70.78 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.936 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -142.93 159.99 41.19 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.14 148.05 25.37 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' ' 23' ' ' ILE . 90.3 mt -95.92 157.23 15.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.288 0.566 . . . . 0.0 111.574 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 51' ' ' ARG . 7.9 ptm180 -61.07 117.69 5.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.947 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 4.0 p-10 -57.93 -29.82 65.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.5 79.68 1.27 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.396 0.617 . . . . 0.0 111.533 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 48.5 t-105 -165.13 143.25 6.25 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.734 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -59.45 128.37 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.276 0.56 . . . . 0.0 112.17 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG23 HD22 ' A' ' 61' ' ' LEU . 11.9 p -68.48 -25.0 30.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -42.36 84.01 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.605 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.26 -19.66 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 75.8 m -77.61 -17.59 57.65 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.49 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 68.64 27.77 5.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.048 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG23 ' A' ' 56' ' ' VAL . 10.4 mp -64.09 -17.11 63.1 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.33 -40.18 64.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.192 0.52 . . . . 0.0 110.231 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -88.97 -32.23 17.74 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.184 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.5 tt . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' HB ' HG22 ' A' ' 5' ' ' VAL . 8.2 t -87.26 132.78 31.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.905 -177.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.483 ' NE2' ' HD3' ' A' ' 6' ' ' ARG . 12.3 m-70 -106.19 108.27 19.69 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.3 mt -109.48 117.9 55.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.3 t -113.94 136.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 120.787 0.327 . . . . 0.0 110.726 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.732 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 25.9 ttt . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 120.937 0.399 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.3 mt -96.26 119.65 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -118.09 150.56 20.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -93.3 140.15 29.87 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.41 138.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.133 0.492 . . . . 0.0 111.754 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 92.9 mtt180 -110.44 116.88 32.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.754 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -91.28 151.91 20.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.052 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.529 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.9 t30 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.807 0.843 . . . . 0.0 112.302 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 CA-C-O 120.958 0.199 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -134.0 145.6 56.45 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.89 135.83 10.21 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.35 2.033 . . . . 0.0 112.687 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.12 123.01 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.396 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.41 109.58 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.527 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 26' ' ' LEU . 27.1 m -112.86 164.38 8.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.51 156.95 16.12 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 m -64.31 -9.41 17.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.86 7.87 12.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.204 0.526 . . . . 0.0 111.07 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.34 108.06 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.414 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 155.63 40.09 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.021 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.4 mm -56.46 -36.92 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 120.866 0.365 . . . . 0.0 110.697 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 71.9 t80 -62.21 -45.32 93.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.988 176.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.0 mm-40 -63.18 -43.85 97.07 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.36 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 HG11 ' A' ' 17' ' ' VAL . 41.6 tp -57.29 -44.35 83.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.064 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpp -61.14 -42.73 99.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.142 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.39 -37.14 82.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.175 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.9 t -59.98 -51.04 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.05 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.737 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 59.6 pttt -65.44 -34.62 78.72 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.502 0.191 . . . . 0.0 111.471 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -61.55 -42.78 99.33 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.16 -7.25 42.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.53 40.41 59.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.353 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.73 154.45 48.05 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.27 115.99 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.415 2.077 . . . . 0.0 112.076 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.85 64.89 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -71.99 -21.82 61.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -107.74 10.91 28.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.523 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.96 137.5 42.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.568 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -123.88 133.1 53.83 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.349 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.51 128.9 62.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.093 0.473 . . . . 0.0 110.71 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.95 119.58 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.776 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 76.6 t80 -117.55 116.45 27.13 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.91 20.42 12.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.196 0.522 . . . . 0.0 111.34 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.18 4.12 69.07 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.001 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -129.47 171.81 12.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.134 0.492 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.2 143.02 36.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.974 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 mt -98.43 -166.8 1.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.732 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -101.83 122.82 44.7 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.9 p-10 -56.2 -36.08 68.01 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -173.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.51 17.8 10.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.425 ' CB ' ' HG2' ' A' ' 51' ' ' ARG . 22.6 t-105 -110.96 150.79 28.73 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.948 -0.47 . . . . 0.0 110.469 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.67 148.68 51.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.49 0.662 . . . . 0.0 112.233 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' CG2' HD22 ' A' ' 61' ' ' LEU . 11.9 p -74.25 -24.36 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.5 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -63.69 -57.77 8.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.005 -178.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -64.62 -17.61 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.257 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.0 m -80.37 -8.18 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.154 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 51.06 58.55 5.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.62 0.768 . . . . 0.0 112.795 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -70.3 -57.79 4.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.737 0.303 . . . . 0.0 111.13 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.08 -35.63 59.78 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.305 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -75.29 -38.34 60.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.216 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.371 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.6 tt . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG21 HD23 ' A' ' 61' ' ' LEU . 13.0 t -85.6 139.17 17.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -112.4 108.2 17.27 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.55 118.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 121.044 0.449 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 8.8 p -120.36 135.85 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.971 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--N 1.312 -1.046 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.8 178.772 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.933 0.397 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -99.19 122.3 50.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.0 147.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' C ' HG13 ' A' ' 66' ' ' ILE . 93.9 m-85 -92.38 129.08 38.41 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.317 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -139.63 135.35 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.414 0.626 . . . . 0.0 112.409 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 89.0 mtt180 -107.89 108.92 20.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.055 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -80.57 127.13 32.1 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 CA--C 1.536 0.437 0 O-C-N 123.631 0.582 . . . . 0.0 109.612 -178.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -137.87 149.92 65.94 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.19 112.3 0.57 Allowed 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.816 2.344 . . . . 0.0 112.968 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -99.14 124.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.035 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.89 117.39 30.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -124.17 -179.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.355 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -92.52 172.06 8.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -63.8 -37.32 86.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.116 0.484 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.03 69.24 1.3 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.498 0.666 . . . . 0.0 109.628 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -119.75 111.83 18.5 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.136 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 21.4 m -73.12 151.12 41.73 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -57.03 -34.13 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.53 -49.69 75.52 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.176 0.513 . . . . 0.0 109.847 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.7 mt-30 -65.62 -43.14 90.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.366 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.37 -42.58 82.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -60.66 -45.04 95.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.937 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -68.11 -33.42 74.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.959 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -62.96 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 110.18 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -37.19 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.155 0.503 . . . . 0.0 110.17 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.02 83.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.62 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.94 -30.58 69.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.368 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -65.4 -51.53 59.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.677 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -82.92 -13.94 55.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.608 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.63 47.69 14.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.714 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.555 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.9 m -126.03 154.85 73.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 C-N-CA 122.126 0.17 . . . . 0.0 110.646 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.25 112.18 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.768 2.312 . . . . 0.0 112.309 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB1' ' OE1' ' A' ' 28' ' ' GLU . . . -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.63 -31.09 69.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -102.23 21.06 15.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.32 144.85 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.737 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -131.18 134.91 46.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.445 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.6 m -102.98 123.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.004 0.431 . . . . 0.0 111.975 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -119.21 131.54 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.08 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -119.73 110.56 16.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.66 -66.25 0.25 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.747 0.819 . . . . 0.0 111.636 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.02 17.38 0.22 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.689 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 164.62 33.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.17 159.68 14.77 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.778 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.46 151.47 24.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 152.98 43.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -81.33 -26.53 35.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.942 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.84 74.36 1.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.567 0.699 . . . . 0.0 111.294 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.0 t-105 -165.73 148.87 7.73 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.53 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 t -80.47 143.65 33.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.312 0.577 . . . . 0.0 111.804 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG23 HD22 ' A' ' 61' ' ' LEU . 11.2 p -73.54 -24.83 20.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.9 -45.9 90.35 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.431 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -16.08 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 -178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.8 m -87.71 -22.91 24.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 59.2 48.17 10.73 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.305 0.642 . . . . 0.0 112.416 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 56' ' ' VAL . 6.5 mp -71.65 0.33 8.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.027 0.442 . . . . 0.0 111.438 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.23 -19.92 19.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -106.83 -34.59 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.552 178.671 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 18.5 tt . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.173 0.511 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG21 HD23 ' A' ' 61' ' ' LEU . 7.4 t -85.59 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.209 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -118.59 107.52 13.84 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.5 mt -95.56 119.15 43.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -106.41 135.0 46.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.555 HE22 ' HB ' ' A' ' 36' ' ' VAL . 20.2 tt0 . . . . . 0 N--CA 1.437 -1.117 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.39 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.54 0.21 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.9 mt -110.19 110.7 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.03 162.62 3.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 39.7 m-85 -105.19 143.26 33.62 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.83 139.65 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.891 0.377 . . . . 0.0 111.691 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HG3' HD13 ' A' ' 66' ' ' ILE . 82.7 mtp180 -109.6 97.41 6.97 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -83.44 141.88 31.37 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.545 0.688 . . . . 0.0 109.742 178.769 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 66' ' ' ILE . . . . . . . . 0 N--CA 1.438 -1.17 0 N-CA-C 112.964 -0.054 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -123.89 147.72 54.68 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.19 131.33 12.86 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.688 2.259 . . . . 0.0 113.173 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.48 119.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.242 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.17 125.92 30.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.811 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 26' ' ' LEU . 27.0 m -128.94 158.93 41.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.26 160.47 18.43 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -69.25 -24.64 64.02 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.93 -0.5 57.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -70.67 120.8 16.82 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -80.64 156.25 26.46 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.3 mm -56.47 -38.56 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.733 0.302 . . . . 0.0 110.664 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.4 t80 -59.22 -44.27 92.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.1 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 mm-40 -66.46 -48.08 71.05 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 17' ' ' VAL . 24.8 tp -56.24 -43.56 78.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 86.7 tttt -57.58 -47.58 81.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.027 177.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.17 -37.44 78.18 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.733 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.6 t -59.23 -49.87 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.568 0.223 . . . . 0.0 110.849 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.57 -45.6 98.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.174 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -63.1 -44.61 95.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.33 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -65.79 -41.24 92.22 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.276 0.63 . . . . 0.0 110.778 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -61.91 -45.07 95.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.737 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -85.37 -21.54 28.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.625 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 43.37 6.08 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.955 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.78 154.6 55.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.38 117.57 4.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.483 2.122 . . . . 0.0 111.95 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -76.19 -25.36 55.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.08 -15.64 63.02 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -117.2 17.64 14.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.573 0.701 . . . . 0.0 109.656 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 31' ' ' ALA . 28.1 tp -101.35 144.39 30.22 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.301 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.436 HH11 HG13 ' A' ' 44' ' ' ILE . 6.3 tmm_? -131.04 131.8 44.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.603 0.24 . . . . 0.0 111.024 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 m -107.16 143.99 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.353 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 HH11 ' A' ' 42' ' ' ARG . 25.7 mm -134.93 132.32 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.126 0.488 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -137.92 115.21 11.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.135 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.52 17.41 10.64 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.328 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.36 -14.79 47.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.422 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 155.02 33.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.094 0.447 . . . . 0.0 111.723 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.7 146.66 28.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.071 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' HB2' HG21 ' A' ' 23' ' ' ILE . 72.3 mt -87.31 151.86 22.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 -178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.552 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.67 122.26 17.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 29.3 p-10 -62.71 -46.66 87.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -87.53 57.76 4.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.962 0.411 . . . . 0.0 112.051 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -149.78 149.95 31.3 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.5 p -61.31 143.91 54.85 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.38 0.672 . . . . 0.0 111.793 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.18 -19.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.023 0.44 . . . . 0.0 110.103 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.7 -35.81 81.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -86.86 14.25 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.24 115.29 23.32 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -69.41 50.41 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.882 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.58 -25.95 54.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.062 0.458 . . . . 0.0 110.295 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -87.32 -29.26 21.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.643 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -82.39 -29.04 31.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.586 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.112 -179.084 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.3 tt . . . . . 0 N--CA 1.442 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 t -87.36 136.07 23.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.897 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -103.59 139.8 38.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.794 0.33 . . . . 0.0 110.852 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 41' ' ' LEU . 22.9 mt -135.48 129.61 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.487 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.02 138.93 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.036 178.123 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.623 0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' ' 16' ' ' GLU . 70.2 mt -101.47 121.86 52.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.458 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.07 146.15 20.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 120.723 0.297 . . . . 0.0 110.352 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CB ' HG13 ' A' ' 66' ' ' ILE . 73.2 m-85 -84.77 128.9 34.83 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -134.41 139.36 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 112.122 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -115.52 133.81 55.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.332 177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -119.64 109.78 16.07 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.955 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.209 . . . . 0.0 113.687 175.275 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -132.4 144.76 54.37 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-O 120.727 0.299 . . . . 0.0 110.61 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -81.42 121.31 3.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.16 119.69 51.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.8 tm-20 -87.87 115.88 25.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.06 168.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.57 164.31 26.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.75 -20.28 66.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.57 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.67 75.58 1.28 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.738 0.78 . . . . 0.0 109.934 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -121.44 108.8 14.08 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.174 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 16.4 m -65.26 151.34 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.483 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 50' ' ' LEU . 46.3 mm -57.89 -37.77 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 0.0 110.97 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.21 -42.58 96.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.965 0.412 . . . . 0.0 109.928 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 mt-30 -65.82 -45.62 81.64 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.753 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -54.62 -44.01 72.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.717 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.08 -46.97 84.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.874 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.01 -36.08 77.4 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 25' ' ' GLN . 76.1 t -61.4 -47.3 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.518 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -66.9 -41.98 88.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 109.926 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.78 63.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.584 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.58 -32.07 73.57 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.725 0.298 . . . . 0.0 110.501 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -58.45 -44.83 89.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.81 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -92.52 -19.68 21.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.025 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.81 39.19 6.26 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.094 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.6 m -117.58 153.09 50.38 Favored Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 122.817 -0.225 . . . . 0.0 110.667 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.03 116.49 4.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.687 2.258 . . . . 0.0 113.296 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.5 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.336 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -63.58 -22.67 67.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.973 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -127.07 15.02 7.34 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.055 0.455 . . . . 0.0 110.19 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 43.9 tp -84.39 128.81 34.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.756 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -103.05 138.57 39.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 69' ' ' ILE . 27.3 m -127.92 139.02 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.206 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.5 mm -126.17 120.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.22 0.534 . . . . 0.0 111.414 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 50' ' ' LEU . 53.1 t80 -129.84 111.59 12.74 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.57 22.09 13.02 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 111.243 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.47 15.35 58.66 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.15 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -149.16 174.6 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.67 -0.312 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -101.37 138.13 38.79 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 45' ' ' PHE . 89.0 mt -78.85 -178.24 5.91 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 54' ' ' TRP . 15.5 mmm180 -64.56 100.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.362 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -51.24 -51.83 50.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.784 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.1 65.81 1.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.439 0.638 . . . . 0.0 110.397 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.625 ' O ' ' HA ' ' A' ' 22' ' ' SER . 40.3 t-105 -164.27 147.4 9.29 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.836 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.76 142.56 58.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 112.76 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 61' ' ' LEU . 9.3 p -70.47 -25.58 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.653 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.588 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 27.4 tt0 -59.13 -47.42 85.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.538 -178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.82 -23.69 65.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.328 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -85.98 -11.75 52.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 57.68 52.16 8.58 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 67' ' ' VAL . 10.1 mp -68.27 -12.59 61.27 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.404 0.621 . . . . 0.0 110.885 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.13 -34.01 61.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -103.36 -32.09 9.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -175.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 4' ' ' PHE . 20.3 tt . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' CG2' HD23 ' A' ' 61' ' ' LEU . 15.8 t -81.72 120.94 34.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 120.609 0.243 . . . . 0.0 111.054 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -96.7 107.88 20.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.443 HG12 HG12 ' A' ' 43' ' ' VAL . 28.8 mt -106.94 128.86 61.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.44 135.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.642 0.258 . . . . 0.0 110.59 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.527 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 26.9 tt0 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.57 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.93 119.99 53.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.304 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.74 148.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 120.881 0.372 . . . . 0.0 110.542 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -89.87 137.25 32.5 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.778 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.36 139.17 42.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.431 0.634 . . . . 0.0 111.375 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 68' ' ' HIS . 15.4 mmm180 -102.76 144.86 30.57 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.685 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -136.86 150.5 48.31 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.824 179.793 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -91.23 144.72 30.26 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-O 120.831 0.348 . . . . 0.0 111.65 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.42 131.87 5.75 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.595 2.196 . . . . 0.0 111.859 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG12 HG13 ' A' ' 17' ' ' VAL . 79.3 t -116.71 122.89 70.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.033 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.05 119.97 31.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.007 0.432 . . . . 0.0 110.593 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG11 HD13 ' A' ' 26' ' ' LEU . 19.5 m -131.74 174.65 12.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 2.1 m-20 -84.64 161.45 20.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m -71.67 -25.98 62.34 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.279 0.561 . . . . 0.0 110.064 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -93.09 1.43 57.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.12 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 18' ' ' ASP . 54.5 m -66.31 120.13 12.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 73.7 p -75.1 158.31 33.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.238 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.6 mm -61.45 -24.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.22 -46.82 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.9 mm100 -69.68 -38.88 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.959 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD13 HG11 ' A' ' 17' ' ' VAL . 61.4 tp -60.96 -38.87 87.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.083 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -54.24 -46.43 72.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.064 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -68.08 -41.21 82.25 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 25' ' ' GLN . 87.4 t -58.02 -48.38 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.657 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 69' ' ' ILE . 59.8 t -69.17 -39.0 78.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.273 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.76 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.399 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.76 -28.28 68.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 111.373 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 HG22 ' A' ' 15' ' ' VAL . 45.2 ttt180 -69.66 -36.96 76.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -93.94 -6.47 45.42 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.36 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.28 40.01 50.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.012 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 28.2 m -124.86 153.43 70.74 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.567 0.222 . . . . 0.0 110.544 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 63.9 Cg_endo -76.52 130.43 11.77 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.317 2.011 . . . . 0.0 111.676 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.53 -3.85 39.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.37 -52.16 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.564 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -110.08 32.23 5.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.553 0.692 . . . . 0.0 110.182 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.7 tp -94.75 134.82 36.95 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.38 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -118.34 127.45 53.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.215 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.62 130.62 52.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.953 0.406 . . . . 0.0 111.081 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -119.85 104.93 16.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.331 0.586 . . . . 0.0 109.814 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 78.0 t80 -117.18 113.65 22.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.451 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.74 15.88 9.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.023 0.439 . . . . 0.0 111.289 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.17 -2.76 54.85 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.005 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 159.88 40.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.662 0.267 . . . . 0.0 111.378 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.57 162.53 23.11 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 23' ' ' ILE . 91.8 mt -108.47 165.98 11.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.018 0.437 . . . . 0.0 111.388 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -83.12 114.63 21.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.315 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.4 p-10 -60.91 -14.18 20.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.68 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.89 -9.4 55.8 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 54' ' ' TRP . 8.2 t-105 -113.66 167.29 10.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.498 -0.881 . . . . 0.0 113.15 -175.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 68.2 p -76.33 152.3 36.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.893 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.437 HG23 HD22 ' A' ' 61' ' ' LEU . 14.0 p -73.31 -26.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.235 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.24 -49.88 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.501 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.408 ' HB3' ' HE1' ' A' ' 54' ' ' TRP . 2.8 t-20 -78.21 -14.01 59.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.65 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.81 -11.24 59.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.929 0.395 . . . . 0.0 110.174 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.3 50.75 3.68 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 67' ' ' VAL . 7.9 mp -80.6 -1.9 44.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.186 0.517 . . . . 0.0 111.034 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.88 -39.91 12.04 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.067 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -106.36 -29.86 9.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 . . . . . 0 C--N 1.32 -0.693 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.813 -178.176 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.495 HG21 HD23 ' A' ' 61' ' ' LEU . 10.9 t -81.27 134.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 116.836 -0.166 . . . . 0.0 110.646 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 10.0 m170 -117.63 114.35 23.26 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 30' ' ' VAL . 39.9 mt -111.79 127.52 68.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.444 0.64 . . . . 0.0 111.383 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.7 137.48 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.771 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 7.2 tt0 . . . . . 0 C--N 1.318 -0.798 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.726 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 16' ' ' GLU . 65.5 mt -96.54 122.24 47.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.471 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.67 137.15 51.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.39 129.94 34.84 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.885 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.8 t -131.95 137.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -115.4 133.45 56.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.925 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -102.22 151.48 22.17 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.782 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -139.63 143.36 34.96 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.666 0.269 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.1 122.98 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.621 2.214 . . . . 0.0 111.941 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.37 126.69 60.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.815 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.2 tm-20 -92.4 117.02 29.5 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG11 HD13 ' A' ' 26' ' ' LEU . 11.6 m -135.72 167.16 25.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.96 166.42 18.87 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.011 0.434 . . . . 0.0 110.872 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -74.78 -6.48 49.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.52 8.51 12.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.738 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -66.81 123.05 19.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.475 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.3 m -77.72 147.3 35.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 51' ' ' ARG . 50.6 mm -55.87 -35.39 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 43.9 t80 -60.12 -42.63 95.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.366 . . . . 0.0 110.267 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.7 mm100 -69.51 -42.31 74.89 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 HG11 ' A' ' 17' ' ' VAL . 60.2 tp -56.66 -41.98 78.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.891 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.12 -47.44 86.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.116 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.75 -36.67 85.06 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.534 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' GLN . 73.4 t -58.79 -50.41 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.99 -47.39 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.81 96.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -65.91 -37.49 86.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.089 0.471 . . . . 0.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -65.52 -32.75 74.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.144 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -98.42 -11.73 22.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.515 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 28.03 56.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.619 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.09 156.45 37.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 122.651 -0.323 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -68.3 121.1 8.04 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.754 2.303 . . . . 0.0 111.681 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.5 -18.48 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -80.22 -6.39 57.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.282 0.563 . . . . 0.0 110.27 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.67 11.89 18.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.307 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' CG2' ' A' ' 69' ' ' ILE . 16.5 tp -106.43 141.29 37.99 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.085 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -122.03 131.82 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 m -101.69 114.14 40.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.285 0.564 . . . . 0.0 111.617 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.88 147.47 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.759 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -135.83 106.58 6.58 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.18 -62.46 0.36 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.963 0.789 . . . . 0.0 110.982 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.13 2.2 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -108.65 171.43 7.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.59 146.28 41.91 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' ILE . 65.7 mt -94.51 145.56 24.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.237 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -79.73 152.37 29.9 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 26.2 p-10 -72.56 -40.87 66.33 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -175.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.83 79.12 1.62 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.34 0.59 . . . . 0.0 110.63 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.1 t-105 -162.9 151.93 14.91 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.437 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -71.42 137.84 48.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.113 0.483 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 HD12 ' A' ' 61' ' ' LEU . 8.8 p -73.41 -26.62 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.625 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 29.9 tt0 -67.75 -33.89 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.05 0.452 . . . . 0.0 111.472 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.25 -7.28 59.39 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.102 0.477 . . . . 0.0 110.848 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.8 m -84.59 -12.9 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.14 35.01 21.18 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.013 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 56' ' ' VAL . 35.1 mt -68.76 -10.59 57.47 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.86 -25.47 11.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.558 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -88.35 -52.47 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 . . . . . 0 C--N 1.319 -0.72 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.834 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 t -80.76 135.24 25.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.725 0.297 . . . . 0.0 110.411 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -111.9 108.4 17.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.031 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 41' ' ' LEU . 28.2 mt -105.51 125.5 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-O 121.117 0.484 . . . . 0.0 111.136 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.19 141.83 43.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.538 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.884 0.373 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -105.44 110.65 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.719 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.26 151.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.106 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -96.67 135.77 38.14 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.1 135.94 47.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.48 0.657 . . . . 0.0 111.895 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 42.6 mtp85 -107.03 109.18 21.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.048 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.6 151.48 22.45 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 123.35 0.66 . . . . 0.0 112.65 -179.809 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -115.37 147.98 39.85 Favored Pre-proline 0 C--N 1.313 -1.014 0 CA-C-O 120.755 0.312 . . . . 0.0 111.378 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.79 134.79 6.46 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 17' ' ' VAL . 49.3 t -115.59 129.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.981 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -90.63 113.05 25.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.07 0.462 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 15' ' ' VAL . 27.9 m -128.34 174.74 11.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.205 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -87.06 166.33 15.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -71.74 -33.49 68.73 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.267 0.556 . . . . 0.0 110.348 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.48 4.35 51.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.501 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -61.61 123.17 17.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.504 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.1 m -80.08 151.27 29.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.013 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -56.52 -29.56 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.311 0.577 . . . . 0.0 110.156 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -52.91 -56.41 16.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.57 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 mm-40 -73.32 -37.27 66.21 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.303 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD13 HG11 ' A' ' 17' ' ' VAL . 60.0 tp -53.75 -41.87 67.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.55 -43.95 96.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.366 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.36 -28.11 62.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.969 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.3 t -65.85 -47.99 83.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.007 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.896 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.02 83.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.593 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -65.83 -45.02 83.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.526 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 HG22 ' A' ' 15' ' ' VAL . 63.9 ttt180 -64.48 -35.74 81.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.464 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -90.22 -23.83 21.15 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.938 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.54 44.48 8.55 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.778 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 34.7 m -129.51 150.27 75.16 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.414 0.15 . . . . 0.0 110.826 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -65.5 119.58 6.63 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.333 2.022 . . . . 0.0 111.467 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.47 63.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -63.92 -27.88 69.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.102 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -108.44 3.68 23.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.628 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.92 136.19 34.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.132 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -116.06 126.96 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.96 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -106.22 128.39 60.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.352 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.61 129.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.286 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -137.85 122.96 19.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.286 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.93 19.23 11.45 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.03 0.532 . . . . 0.0 111.748 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.74 -5.44 66.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.685 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -179.35 5.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.547 0.213 . . . . 0.0 111.035 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.0 164.03 12.1 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.862 0.363 . . . . 0.0 110.313 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt -114.41 155.41 26.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.993 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' H ' ' CD ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -65.01 134.35 53.68 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -70.27 -32.54 70.4 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -102.71 73.13 1.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.427 0.632 . . . . 0.0 111.495 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.4 t-105 -165.35 157.76 15.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.864 175.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.0 p -69.01 145.08 53.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.424 0.631 . . . . 0.0 112.249 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 HD13 ' A' ' 61' ' ' LEU . 12.4 p -80.06 -20.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.443 178.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -72.61 -29.17 63.26 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.39 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -36.36 23.87 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.4 -30.85 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 t70 62.48 92.0 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.009 0.924 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD13 HG23 ' A' ' 56' ' ' VAL . 7.9 mp -109.4 17.97 20.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -48.58 4.74 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.875 -1.511 . . . . 0.0 111.469 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -117.5 -32.71 4.82 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' HD23 ' A' ' 61' ' ' LEU . 5.4 t -80.67 131.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-O 120.46 0.171 . . . . 0.0 110.725 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -108.57 114.6 28.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.1 mt -119.24 118.94 59.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-O 121.234 0.54 . . . . 0.0 111.352 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 m -111.27 141.27 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.395 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 36' ' ' VAL . 5.7 tp60 . . . . . 0 C--N 1.311 -1.108 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 20.8 ttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG12 ' HG2' ' A' ' 16' ' ' GLU . 28.8 mt -125.56 131.72 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.678 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.34 157.99 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.429 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -97.22 139.13 33.66 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.239 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 14.5 p -135.36 135.15 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-O 121.303 0.573 . . . . 0.0 111.966 -176.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' CA ' ' A' ' 12' ' ' GLY . 13.0 mmm180 -106.84 101.15 10.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.019 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -87.34 147.6 25.41 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.323 -0.571 0 O-C-N 123.313 0.383 . . . . 0.0 110.901 179.68 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.814 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -91.49 147.25 34.91 Favored Pre-proline 0 C--N 1.312 -1.032 0 CA-C-O 120.683 0.278 . . . . 0.0 110.518 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.64 125.96 6.43 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.391 2.061 . . . . 0.0 111.958 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -107.62 129.29 61.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.346 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HG2' HG12 ' A' ' 2' ' ' ILE . 40.3 mt-10 -85.53 120.9 27.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.663 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 26' ' ' LEU . 27.8 m -128.73 -179.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.477 -178.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -91.74 171.71 8.97 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -178.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p -81.33 0.3 37.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.752 178.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -132.15 24.11 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.256 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 m -76.58 116.99 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.39 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 m -77.23 156.15 31.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.011 177.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 50' ' ' LEU . 41.6 mm -55.32 -38.79 49.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.889 0.376 . . . . 0.0 111.229 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.0 t80 -64.8 -36.06 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.726 179.095 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.6 mt-30 -68.96 -45.11 71.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 17' ' ' VAL . 50.6 tp -58.93 -39.01 80.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 88.3 tttt -58.56 -49.38 77.63 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.877 176.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.32 -46.75 87.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.364 179.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.8 t -55.0 -51.98 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.202 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.33 -35.85 72.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.797 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.0 62.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -68.99 -29.49 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.76 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -64.54 -39.26 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.187 0.518 . . . . 0.0 110.498 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -92.84 -6.72 48.18 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.287 -179.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.68 37.72 67.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.299 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.44 150.68 48.4 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.532 0.206 . . . . 0.0 110.727 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 31.3 Cg_endo -65.79 119.66 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.475 2.117 . . . . 0.0 111.476 178.133 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -66.43 -23.83 66.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.146 -178.211 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -68.4 -24.53 64.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -108.21 12.35 26.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.391 0.615 . . . . 0.0 110.306 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -97.75 144.33 27.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.085 -178.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -122.99 130.11 52.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.731 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.93 122.97 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.127 0.489 . . . . 0.0 111.368 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -118.52 130.41 73.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.399 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 68.7 t80 -128.99 114.27 16.21 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 5.61 3.42 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.404 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.45 7.11 Favored Glycine 0 C--O 1.227 -0.331 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.709 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -113.02 170.75 7.98 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.48 138.39 39.46 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.8 mt -85.53 170.34 12.71 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.141 0.496 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 7.2 ptm180 -90.0 155.97 18.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.776 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.4 p-10 -72.64 -39.23 67.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -90.48 65.23 6.06 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.358 0.599 . . . . 0.0 110.372 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.476 ' NE1' ' HB2' ' A' ' 59' ' ' CYS . 26.1 t-105 -146.81 132.95 19.32 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.1 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -79.35 140.6 37.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.365 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 HD13 ' A' ' 61' ' ' LEU . 8.6 p -76.6 -24.89 15.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.814 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.526 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 24.3 tp60 -68.81 -42.9 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.132 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.51 -18.66 56.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.102 0.477 . . . . 0.0 110.896 -178.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 26.1 t -90.25 -37.42 14.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 64.17 94.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.686 0.794 . . . . 0.0 111.205 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 9.6 mp -103.31 26.55 8.21 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.82 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.64 -43.57 3.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.864 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -90.55 -41.97 11.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 . . . . . 0 C--N 1.316 -0.857 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 -179.077 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD13 ' HG2' ' A' ' 6' ' ' ARG . 18.6 tt . . . . . 0 N--CA 1.44 -0.971 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD23 ' A' ' 61' ' ' LEU . 10.7 t -80.83 129.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -177.262 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -107.16 111.05 23.3 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.89 121.59 66.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-O 121.187 0.518 . . . . 0.0 110.601 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -128.92 145.87 35.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.84 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' OE1' ' HD2' ' A' ' 37' ' ' PRO . 7.7 tt0 . . . . . 0 C--N 1.316 -0.861 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.58 111.69 37.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.76 144.1 16.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.839 0.352 . . . . 0.0 110.314 178.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB2' HG13 ' A' ' 66' ' ' ILE . 44.9 m-85 -87.83 125.89 34.72 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' A' ' 67' ' ' VAL . 69.6 t -131.93 134.24 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.443 -176.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 99.4 mtt180 -107.96 100.71 10.03 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.103 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -85.99 108.79 18.38 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 -178.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.229 -179.506 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.444 -0.792 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -140.56 150.01 59.07 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 116.64 0.22 . . . . 0.0 110.493 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 121.99 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.275 1.983 . . . . 0.0 111.141 177.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.6 t -94.47 119.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.135 0.493 . . . . 0.0 110.203 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -90.83 111.82 23.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.884 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 26' ' ' LEU . 16.5 m -126.68 -177.49 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.6 162.21 14.27 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -64.56 -23.44 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.071 177.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -110.98 66.42 0.63 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.565 0.698 . . . . 0.0 109.954 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -116.75 114.24 23.71 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.94 178.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 37.2 m -69.65 149.68 47.83 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 178.578 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.19 -39.93 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.611 0.244 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.464 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 69.9 t80 -61.72 -47.61 84.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.968 0.413 . . . . 0.0 110.269 177.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.8 mm100 -63.67 -41.39 98.18 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.079 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 HG11 ' A' ' 17' ' ' VAL . 53.8 tp -57.21 -47.14 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.514 178.469 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.37 -43.75 92.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.142 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.49 -36.48 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.02 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' GLN . 66.8 t -62.62 -50.39 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.397 178.099 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.18 -39.5 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.172 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -59.98 -52.48 65.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.694 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -34.43 72.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.605 -178.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.4 ttt180 -67.67 -30.02 69.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 -177.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -103.78 -6.76 21.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.72 55.98 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.046 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 31' ' ' ALA . 18.7 m -136.56 153.49 76.06 Favored Pre-proline 0 C--N 1.318 -0.789 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.718 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.19 117.35 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.242 1.962 . . . . 0.0 111.925 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.28 -37.83 88.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.745 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -102.79 19.39 19.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.483 0.659 . . . . 0.0 110.589 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.7 tp -101.62 151.84 21.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.303 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -130.81 137.97 49.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.57 0.224 . . . . 0.0 110.534 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.54 129.18 75.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.174 0.511 . . . . 0.0 111.14 178.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -123.86 132.36 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.566 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 88.6 t80 -133.93 124.36 26.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.19 22.69 13.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.73 11.63 70.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -142.83 -178.45 5.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.55 138.36 48.18 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.88 166.76 12.89 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.585 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -73.16 142.92 47.43 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.373 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 24' ' ' PHE . 87.3 m-20 -74.32 -26.76 60.36 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 120.9 0.381 . . . . 0.0 111.455 -177.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -102.92 67.91 0.98 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.066 -175.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 19.2 t-105 -161.82 151.88 16.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.405 177.127 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -73.73 142.53 46.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.309 0.576 . . . . 0.0 111.961 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 61' ' ' LEU . 12.6 p -72.11 -25.37 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -59.15 -42.54 90.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.296 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.53 -1.54 58.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.061 0.458 . . . . 0.0 111.037 -177.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.421 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 72.7 m -95.78 -17.6 21.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.671 178.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 57.33 55.46 5.81 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.541 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 11.1 mp -76.75 -0.59 24.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.155 0.502 . . . . 0.0 111.455 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.98 -8.19 18.74 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.243 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -118.78 -56.84 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.049 -176.876 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 4' ' ' PHE . 21.0 tt . . . . . 0 N--CA 1.434 -1.243 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 5' ' ' VAL . 4.5 t -81.69 129.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 -177.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -106.88 108.68 20.31 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.38 129.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 -178.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -135.2 148.75 28.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.953 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -179.458 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.591 0.234 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.1 mm -93.27 123.11 45.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.533 178.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 62' ' ' ASP . 29.6 m -115.06 157.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -101.84 132.34 47.67 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.78 141.28 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.059 0.457 . . . . 0.0 111.563 -177.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -115.52 119.36 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.149 176.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -100.51 113.88 27.03 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.589 0.233 . . . . 0.0 110.901 -178.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.295 178.662 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.941 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -130.1 145.85 59.01 Favored Pre-proline 0 C--N 1.309 -1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.1 114.85 2.26 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.752 2.301 . . . . 0.0 112.243 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -99.92 125.91 53.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -82.46 118.73 23.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 179.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.71 170.0 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.92 170.08 8.07 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 p -67.22 -18.52 65.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.68 24.95 11.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.467 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 m -87.33 115.3 24.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.128 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -79.61 167.12 21.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.36 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.45 -51.59 69.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.484 175.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.2 mm100 -66.87 -45.08 79.24 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.69 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 tp -56.12 -43.18 77.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -58.55 -46.01 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.036 178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.425 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 75.1 t -59.43 -53.53 46.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.689 179.028 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.62 -38.29 81.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.885 0.374 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.64 -45.13 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.9 -29.89 67.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 -178.031 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 30.3 mtp-105 -65.44 -44.42 87.37 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.941 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.37 -34.31 28.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.219 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.8 41.82 4.3 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.53 156.24 55.9 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.638 -0.281 . . . . 0.0 110.423 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.65 119.32 6.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.641 2.227 . . . . 0.0 111.617 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.82 -21.74 56.99 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.99 -51.11 35.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.566 0.222 . . . . 0.0 111.413 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -89.22 22.02 3.01 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.849 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 31' ' ' ALA . 40.0 tp -93.18 138.58 31.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.254 177.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -119.88 125.58 48.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.05 0.452 . . . . 0.0 111.867 -177.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -97.38 133.16 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.59 176.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -130.68 136.68 57.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.218 0.532 . . . . 0.0 111.094 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -140.66 113.52 8.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.18 177.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 22.88 12.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.924 0.49 . . . . 0.0 111.75 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 -16.96 53.8 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.624 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 158.85 26.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 117.143 0.472 . . . . 0.0 111.254 -178.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -91.13 147.49 23.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 178.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.5 mt -91.44 150.22 21.34 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.86 133.39 54.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.305 177.592 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -64.32 -40.86 96.75 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.079 -177.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.11 70.37 7.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.645 0.736 . . . . 0.0 110.736 -177.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -164.0 135.33 4.59 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.352 177.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.61 139.93 58.47 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.331 0.586 . . . . 0.0 112.362 -178.212 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.38 -19.97 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.278 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -35.65 78.92 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.286 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.04 -2.13 57.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 110.046 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.54 -31.86 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.717 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.35 42.44 9.14 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.771 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.51 1.4 2.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.945 -179.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -101.58 -29.8 11.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 178.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.65 -13.83 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.376 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 . . . . . 0 C--N 1.313 -0.979 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 177.534 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 tt . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -81.39 130.54 35.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -103.34 128.94 50.29 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.76 129.08 66.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.67 139.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.034 0.445 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.03 179.543 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.47 124.95 46.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.46 149.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 120.697 0.284 . . . . 0.0 110.512 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -92.16 130.69 37.82 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.03 134.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.158 0.504 . . . . 0.0 111.688 -177.285 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG3' HD13 ' A' ' 66' ' ' ILE . 56.4 mtp180 -106.55 144.14 33.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.843 177.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -133.44 109.82 9.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 N--CA 1.475 0.789 0 O-C-N 123.942 0.776 . . . . 0.0 113.083 178.914 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.257 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.2 p90 -104.36 151.94 39.2 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 5.1 Cg_endo -87.24 126.27 2.31 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.745 2.297 . . . . 0.0 112.534 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.1 119.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.085 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -82.81 121.34 26.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.449 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.4 172.05 13.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.732 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -92.38 175.43 6.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.099 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 p -67.62 -36.04 80.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 111.321 -178.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -111.81 23.68 13.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -67.65 114.67 6.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -65.77 147.79 52.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.7 mm -56.62 -36.02 47.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 76.3 t80 -60.1 -42.98 95.85 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.026 0.441 . . . . 0.0 110.028 177.632 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.8 mm-40 -61.74 -47.07 86.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.298 179.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.583 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.57 -46.19 87.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.898 177.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.8 mm-40 -63.34 -41.19 98.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.216 178.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 25' ' ' GLN . 62.6 t -57.36 -49.63 79.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.166 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.579 178.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.52 -40.97 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.04 -55.14 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.505 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 18.8 ptpt -68.24 -29.52 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.187 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -71.51 -26.84 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.009 0.433 . . . . 0.0 110.863 -178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -107.68 3.65 24.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -178.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.08 47.67 63.75 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.55 177.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.47 151.36 77.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.938 0.369 . . . . 0.0 110.883 178.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.86 119.12 5.72 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.562 2.175 . . . . 0.0 111.814 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.5 -24.01 67.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.574 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.42 -23.66 67.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.888 0.375 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -118.31 23.82 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.295 0.569 . . . . 0.0 110.174 -179.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -102.59 139.17 38.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.88 -178.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 11.8 tpp180 -111.8 131.13 55.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -179.716 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.35 106.72 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.514 0.673 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.43 101.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-O 121.282 0.563 . . . . 0.0 110.788 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -90.79 111.39 22.75 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.12 -63.36 0.37 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.979 0.8 . . . . 0.0 110.84 -176.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.15 12.92 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.298 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.78 166.64 32.9 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.158 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.583 ' OE1' ' HD3' ' A' ' 42' ' ' ARG . 4.2 mm-40 -74.15 156.86 36.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.139 177.078 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 23' ' ' ILE . 59.8 mt -108.53 163.69 13.01 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.368 0.604 . . . . 0.0 111.208 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -74.04 108.13 6.66 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.629 176.421 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 49.6 m-80 -64.19 -28.13 69.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.18 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.28 -17.67 38.9 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' HB3' ' HG2' ' A' ' 51' ' ' ARG . 9.4 t-105 -99.12 172.92 7.07 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.286 -0.566 . . . . 0.0 111.483 -176.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -76.55 153.58 35.28 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.657 0.741 . . . . 0.0 112.976 -174.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.52 -30.36 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.468 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.54 -38.93 92.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 -178.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.99 -21.22 63.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 0.0 110.952 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.5 m -81.0 -22.51 39.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 21.1 m-20 64.52 61.04 0.87 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.58 -23.23 53.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 178.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.21 -30.57 23.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 60' ' ' ASP . 33.2 tt0 -85.05 -48.53 9.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.484 -179.338 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.662 0.268 . . . . 0.0 111.471 -177.615 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.0 tt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.16 127.32 40.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.523 0.201 . . . . 0.0 110.591 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.84 106.89 18.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -108.57 130.57 61.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.243 0.544 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.83 150.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.088 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--N 1.308 -1.213 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.97 -178.16 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 120.76 0.314 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.4 mt -104.08 117.23 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.71 165.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.34 140.92 42.4 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.622 0.248 . . . . 0.0 110.451 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -138.36 143.05 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.332 0.587 . . . . 0.0 111.877 -177.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -115.28 111.98 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -93.73 140.18 29.95 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.637 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.841 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.787 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -135.83 151.28 73.77 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-O 120.525 0.202 . . . . 0.0 110.667 178.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.05 144.63 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.531 2.154 . . . . 0.0 112.439 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.27 118.8 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.939 177.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.94 127.25 33.35 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.957 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.39 166.66 11.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.959 -177.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -103.19 -177.72 3.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.583 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 25.1 m -77.1 -13.09 60.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.424 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.68 19.13 12.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.572 -178.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -81.57 100.67 9.52 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.884 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -68.58 150.68 47.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.619 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.9 mm -57.29 -34.54 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.105 0.479 . . . . 0.0 110.533 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -61.3 -42.95 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.1 mt-30 -68.44 -44.12 75.61 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.901 178.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.01 -42.72 76.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.178 0.513 . . . . 0.0 110.103 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.05 -44.3 87.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.981 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 51.5 mt-10 -71.52 -32.4 68.15 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.395 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' GLN . 68.9 t -62.7 -47.69 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.432 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.25 -41.41 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.143 178.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.66 -42.45 99.62 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.167 0.508 . . . . 0.0 110.709 178.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.26 -41.54 96.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -66.91 -31.3 71.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.947 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -96.76 -10.53 26.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.762 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.72 48.11 51.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.18 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.45 155.69 80.68 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 111.88 1.09 Allowed 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.604 2.203 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 28' ' ' GLU . . . -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.896 -177.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.84 -31.06 70.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -96.08 8.91 42.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 31' ' ' ALA . 22.7 tp -96.28 141.84 29.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.058 -179.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 42' ' ' ARG . 3.8 ttt180 -127.61 149.17 50.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.668 0.271 . . . . 0.0 110.692 -178.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.61 142.08 23.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.834 0.349 . . . . 0.0 111.29 179.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -130.87 119.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -138.03 124.16 20.35 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.7 20.35 11.52 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 -179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.96 66.48 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.895 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 164.73 29.62 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.557 -0.378 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -89.89 154.09 20.13 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.621 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.9 mt -86.16 -177.36 6.25 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.815 -176.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -81.69 -14.11 56.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.091 -177.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.619 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 79.4 m-20 67.74 -60.3 0.4 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 175.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -66.58 -35.04 79.24 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 58' ' ' ASN . 1.2 t90 -77.66 164.41 25.33 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.733 -174.521 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 t -74.95 152.7 38.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 112.227 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.68 -16.43 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.669 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.2 tp-100 -63.16 -37.53 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 111.079 -177.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 2.9 t30 -90.55 8.74 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.542 0.687 . . . . 0.0 109.914 179.598 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.3 94.99 4.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.7 95.42 0.11 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.926 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 67' ' ' VAL . 8.9 mp -110.33 0.37 17.97 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.867 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -86.89 -42.48 13.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.932 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -104.81 27.03 8.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.906 0.384 . . . . 0.0 111.257 -179.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 179.748 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 N--CA 1.444 -0.769 0 CA-C-O 120.811 0.338 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -81.44 131.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.001 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -105.39 135.75 46.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.4 mt -128.65 122.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-O 121.082 0.468 . . . . 0.0 111.197 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -118.35 144.29 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.163 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.19 121.52 54.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 62' ' ' ASP . 35.0 m -102.99 148.9 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -93.02 127.94 38.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.27 136.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.235 0.54 . . . . 0.0 111.92 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 94.0 mtt180 -113.91 114.12 25.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.722 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 10' ' ' SER . 56.2 t80 -89.0 143.1 27.09 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -49.06 -37.12 20.06 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -105.49 22.1 16.05 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.813 0.339 . . . . 0.0 111.097 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 15.2 m -143.57 -171.54 3.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.349 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -105.38 -166.14 1.19 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.4 91.38 1.61 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.143 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -99.8 151.56 37.52 Favored Pre-proline 0 C--N 1.315 -0.911 0 CA-C-O 120.679 0.275 . . . . 0.0 111.195 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.34 126.85 1.07 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.813 2.342 . . . . 0.0 112.429 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -115.57 122.77 70.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.76 121.49 26.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 26' ' ' LEU . 33.0 m -132.95 159.05 43.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.42 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.1 162.6 16.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.1 m -66.68 -28.14 68.22 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.309 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.76 4.27 54.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.735 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 m -67.79 114.34 6.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.0 m -69.87 151.22 45.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 50' ' ' LEU . 50.2 mm -55.01 -44.32 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.459 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 31.5 t80 -65.1 -39.49 93.2 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.283 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.8 mt-30 -61.49 -42.13 98.32 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.161 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 17' ' ' VAL . 35.5 tp -64.11 -39.72 94.64 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.227 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -57.1 -45.79 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -31.16 71.78 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.19 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 25' ' ' GLN . 53.3 t -65.92 -49.96 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.205 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.48 -39.13 84.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.795 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -61.62 -38.19 86.72 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.394 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -68.83 -48.29 63.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.658 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -57.2 -48.57 78.45 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.439 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -101.51 6.08 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 54.52 37.11 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.245 -0.503 . . . . 0.0 113.278 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' ALA . 35.7 m -118.74 151.91 50.69 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.98 113.69 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.818 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.75 -28.54 69.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.572 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -67.61 -22.01 65.37 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.051 0.453 . . . . 0.0 110.715 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 13.8 mm-40 -113.59 13.27 18.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.023 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -93.18 129.46 39.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.752 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -115.73 122.25 44.94 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.505 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.5 m -109.19 135.18 48.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -122.1 126.21 74.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.274 0.559 . . . . 0.0 111.653 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CD2' HD21 ' A' ' 50' ' ' LEU . 63.9 t80 -134.91 118.64 17.13 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.639 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.42 7.24 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.409 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.39 -28.12 10.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.854 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 170.42 8.28 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 122.659 -0.318 . . . . 0.0 111.365 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -92.78 141.26 28.64 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.54 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -80.49 159.21 25.63 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -56.95 137.19 55.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.801 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.8 p-10 -71.39 -21.12 62.05 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.58 84.88 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' O ' ' HA ' ' A' ' 22' ' ' SER . 25.0 t-105 -171.85 161.08 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.083 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 19' ' ' SER . 63.0 p -67.53 140.43 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.519 0.512 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 61' ' ' LEU . 11.2 p -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.977 0.417 . . . . 0.0 110.447 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.93 -50.42 66.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.2 -1.28 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.551 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -96.7 -8.78 30.56 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.186 -0.321 . . . . 0.0 111.199 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 21.5 m-20 66.37 35.68 5.62 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 175.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 8.0 mp -68.3 -14.98 63.38 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 120.444 -0.502 . . . . 0.0 112.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -99.31 -22.7 15.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.055 0.455 . . . . 0.0 110.348 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -95.34 -47.66 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.569 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 84.3 mm-40 -91.6 92.43 8.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.5 tt -115.81 145.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -81.54 137.69 20.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.429 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -109.15 133.34 53.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -132.29 125.18 53.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 121.115 0.483 . . . . 0.0 110.98 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.33 141.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -103.66 141.5 35.94 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.247 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 17.2 mmm180 -123.34 71.86 47.04 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.001 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.49 146.62 9.66 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.406 2.07 . . . . 0.0 111.953 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -85.82 -28.47 24.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.039 0.447 . . . . 0.0 109.935 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 75' ' ' ARG . 10.7 ptp180 -138.28 105.55 5.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 111.36 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.927 176.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.7 ttt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.73 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.8 0.334 . . . . 0.0 110.409 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -111.81 153.13 13.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 66' ' ' ILE . 58.3 m-85 -92.01 134.83 34.45 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.144 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG23 ' HB ' ' A' ' 67' ' ' VAL . 7.3 p -140.14 147.11 23.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.567 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -113.67 151.32 31.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 55.6 t80 -134.28 147.13 50.57 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 27.6 t-20 -52.06 -35.73 48.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.002 0.521 . . . . 0.0 112.319 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -98.34 18.35 16.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.934 0.397 . . . . 0.0 111.217 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.8 t -141.65 -164.14 1.72 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -119.97 -62.11 1.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.897 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.5 119.04 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -139.45 153.4 70.66 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-O 120.576 0.227 . . . . 0.0 110.648 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -88.75 138.73 3.72 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 122.37 2.047 . . . . 0.0 111.934 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.527 HG12 HG13 ' A' ' 17' ' ' VAL . 82.1 t -114.46 123.85 70.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.285 0.564 . . . . 0.0 110.411 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -82.5 102.13 11.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.405 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG13 HG12 ' A' ' 15' ' ' VAL . 18.5 m -116.32 -174.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -104.44 160.66 14.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.628 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -67.1 -11.17 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -114.46 16.36 17.73 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.592 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -76.5 118.99 19.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.821 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' HG3' ' A' ' 25' ' ' GLN . 73.4 p -81.17 163.71 22.88 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.528 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -60.93 -31.14 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.974 0.416 . . . . 0.0 109.917 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 63.9 t80 -62.48 -49.03 77.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.966 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.4 mt-30 -67.88 -43.54 79.13 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.223 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG11 ' A' ' 17' ' ' VAL . 60.4 tp -56.46 -40.34 74.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.4 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' HB1' ' A' ' 38' ' ' ALA . 33.2 ttpt -58.22 -48.97 78.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.754 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.71 -37.93 89.26 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.587 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -57.52 -51.7 66.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.933 0.397 . . . . 0.0 110.419 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.31 -40.19 86.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -61.67 -47.28 86.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.41 -37.89 88.31 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.162 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.13 -33.84 76.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.01 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -93.66 -16.65 24.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.446 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.51 41.01 10.3 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.118 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 m -129.2 157.54 75.75 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.92 -0.165 . . . . 0.0 110.774 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.43 120.41 7.54 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.349 2.032 . . . . 0.0 111.079 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -68.44 -17.92 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.001 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -76.87 -26.5 54.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.058 0.456 . . . . 0.0 110.398 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -95.43 19.3 11.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 31' ' ' ALA . 17.4 tp -105.93 137.0 44.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.001 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -119.46 121.2 38.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.16 131.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.93 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -127.24 135.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.967 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -147.95 128.93 14.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.169 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 23.96 8.47 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.409 0.443 . . . . 0.0 111.969 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 1.75 78.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.318 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -125.99 177.29 6.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.145 0.473 . . . . 0.0 111.043 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -109.05 121.61 45.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.745 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.21 159.3 23.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.59 25.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.042 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 28.0 p-10 -64.58 -40.58 95.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.121 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.69 71.58 4.22 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.99 0.9 . . . . 0.0 110.82 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -155.69 138.76 15.5 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.202 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 58' ' ' ASN . 3.2 t -78.52 143.2 36.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.114 0.483 . . . . 0.0 111.551 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.671 HG23 HD23 ' A' ' 61' ' ' LEU . 13.5 p -68.9 -23.12 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 57.1 tt0 -65.94 -57.03 8.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.739 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.402 ' H ' HG23 ' A' ' 55' ' ' THR . 17.2 m120 -77.58 0.07 24.47 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.794 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 10.6 t -96.76 -12.47 23.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 52.99 47.74 23.98 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.671 HD23 HG23 ' A' ' 56' ' ' VAL . 2.9 mm? -75.06 1.52 12.88 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.655 0.741 . . . . 0.0 109.85 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -75.79 -33.47 60.15 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.471 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -124.88 -38.05 2.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.037 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -77.41 97.19 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.1 tt -132.51 147.32 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' HB ' HG23 ' A' ' 5' ' ' VAL . 26.3 t -81.39 130.52 35.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.728 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -100.92 108.29 20.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 30.7 mt -111.3 119.16 59.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 121.14 0.495 . . . . 0.0 111.143 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 27.5 m -119.86 147.78 23.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -95.49 138.21 33.47 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.282 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 3.5 mmp_? -126.45 84.95 61.15 Favored Pre-proline 0 C--N 1.315 -0.934 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.18 117.36 3.17 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.256 1.971 . . . . 0.0 112.622 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -98.47 11.08 39.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -124.65 5.28 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.465 0.65 . . . . 0.0 110.134 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--N 1.312 -1.046 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.476 -178.1 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 26.1 ttt . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -109.95 111.03 34.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 120.815 0.341 . . . . 0.0 110.67 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.72 168.95 2.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.823 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 66' ' ' ILE . 83.8 m-85 -117.76 135.49 54.01 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' ' HA3' ' A' ' 12' ' ' GLY . 34.5 m -133.0 148.93 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 112.024 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HE ' HG21 ' A' ' 66' ' ' ILE . 93.5 mtt180 -110.17 155.13 22.38 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -135.31 105.84 6.45 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.092 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m120 45.96 23.11 0.16 Allowed 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -160.14 168.36 25.66 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.282 -0.261 . . . . 0.0 110.525 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 m -73.3 141.64 47.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.5 m80 66.79 179.14 0.22 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.464 0.477 . . . . 0.0 110.22 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 5' ' ' VAL . . . -173.63 -136.29 2.17 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 119.244 -1.455 . . . . 0.0 113.184 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -139.44 154.0 71.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-O 120.517 0.199 . . . . 0.0 110.872 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.27 145.62 13.66 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.623 2.215 . . . . 0.0 112.021 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.22 122.03 63.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.97 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -93.14 113.53 25.79 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 HD13 ' A' ' 26' ' ' LEU . 23.9 m -127.69 176.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -85.45 168.67 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.276 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 m -71.04 -21.39 62.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.071 0.462 . . . . 0.0 111.148 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -109.69 35.5 3.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.004 0.431 . . . . 0.0 110.952 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -85.4 129.26 34.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.655 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 t -83.65 153.88 24.01 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.92 -39.07 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 120.836 0.35 . . . . 0.0 110.47 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.77 -43.95 97.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 97.8 mt-30 -63.99 -47.84 78.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 17' ' ' VAL . 53.5 tp -57.04 -43.32 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.37 -46.9 85.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.16 -35.86 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.385 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.6 t -60.45 -45.7 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.214 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.31 -46.85 94.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.209 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -59.77 -45.08 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.011 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -63.99 -42.16 97.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.952 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.81 -49.97 72.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.742 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.07 -10.88 56.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.93 51.57 6.22 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.439 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 32.5 m -131.96 157.27 78.67 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -80.21 126.94 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.612 2.208 . . . . 0.0 111.719 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.14 47.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.22 -55.1 37.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.137 0.494 . . . . 0.0 111.293 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -99.69 5.17 45.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.456 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.91 130.96 39.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.567 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -121.62 132.03 54.44 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.694 0.283 . . . . 0.0 110.681 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.18 127.7 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.826 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.11 126.18 73.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.742 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.635 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 43.5 t80 -119.62 108.5 14.55 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.674 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 65.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.101 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.17 -10.28 35.55 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -152.2 156.87 40.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.976 0.888 . . . . 0.0 112.267 -178.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.82 168.63 17.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.102 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD13 ' SG ' ' A' ' 59' ' ' CYS . 24.4 mt -119.98 161.52 20.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.23 150.42 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.176 174.317 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -86.53 -24.37 25.53 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.71 70.74 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.685 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -164.43 156.9 16.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.189 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -68.86 143.9 54.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 112.961 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG23 HD22 ' A' ' 61' ' ' LEU . 10.9 p -80.79 -27.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.963 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 19.5 tm0? -63.78 -44.48 93.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.652 -176.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.65 -0.6 43.3 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.7 t -98.27 -14.37 20.3 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.986 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.79 39.64 4.63 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -65.77 -18.12 65.1 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.01 -0.96 49.89 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.036 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -101.41 -53.1 3.08 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 85.2 mm-40 -79.82 82.84 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.906 0.384 . . . . 0.0 111.465 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.448 HG21 ' HE ' ' A' ' 6' ' ' ARG . 21.4 tt -153.42 154.53 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.272 -175.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG21 HD23 ' A' ' 61' ' ' LEU . 20.1 t -84.09 133.96 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.601 0.239 . . . . 0.0 110.385 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -98.64 108.74 21.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.893 0.378 . . . . 0.0 110.366 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 49.2 mt -107.51 131.64 57.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.78 136.04 61.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.127 0.489 . . . . 0.0 110.974 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -115.28 130.59 56.95 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.297 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -135.5 86.15 29.91 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.681 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.94 144.35 76.28 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.699 2.266 . . . . 0.0 111.626 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -103.83 -33.51 8.86 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -114.92 19.33 15.91 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.204 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.218 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.944 0.402 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 68.3 mt -126.84 114.71 38.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.864 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -93.82 145.88 7.29 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 120.983 0.42 . . . . 0.0 110.948 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 67' ' ' VAL . 19.2 m-85 -93.98 127.31 39.69 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.519 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.93 140.22 39.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.102 0.477 . . . . 0.0 112.275 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HG2' ' HA2' ' A' ' 12' ' ' GLY . 16.2 mtm180 -115.22 136.46 53.08 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.534 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 53.3 t80 -100.34 146.36 27.05 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 11.1 t30 -55.19 -26.61 40.25 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -116.44 27.0 9.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.118 0.485 . . . . 0.0 110.559 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 12.0 t -150.9 -168.47 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -110.85 -169.34 1.44 Allowed 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 6' ' ' ARG . . . -82.31 129.22 8.92 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.406 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -138.8 146.24 49.32 Favored Pre-proline 0 C--N 1.312 -1.052 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -81.95 132.19 7.31 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.537 2.158 . . . . 0.0 112.426 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.231 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 37.4 tt0 -78.93 132.63 36.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -129.13 -179.18 2.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.34 166.88 10.62 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 p -72.91 -2.72 21.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.881 0.372 . . . . 0.0 111.67 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -120.6 14.25 11.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.943 0.402 . . . . 0.0 110.758 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -78.7 117.43 19.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.145 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 14.6 m -80.92 152.58 28.0 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.1 mm -59.93 -29.78 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.024 0.44 . . . . 0.0 110.291 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.74 -44.38 97.02 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.778 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.3 mm100 -71.84 -38.36 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.543 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.38 -39.68 84.09 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -59.32 -51.16 71.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.477 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 26.6 mt-10 -56.55 -50.63 71.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.739 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.0 t -51.89 -52.49 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.382 0.426 . . . . 0.0 111.458 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.58 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -58.19 -55.59 33.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.018 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 17.1 ptpt -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -65.5 -46.71 78.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 110.584 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -79.02 -30.7 44.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.238 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.22 34.09 4.65 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.05 164.98 15.87 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.64 112.9 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.62 2.213 . . . . 0.0 112.2 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.71 64.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.14 -36.85 83.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.6 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 80.7 mm-40 -114.87 23.8 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.265 0.555 . . . . 0.0 110.887 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 31' ' ' ALA . 24.8 tp -96.14 137.05 35.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.63 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -119.59 136.1 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.4 m -106.06 132.0 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.282 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -128.41 132.25 68.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.467 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.83 128.24 20.03 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.27 17.06 9.95 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.978 0.511 . . . . 0.0 111.41 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 8.49 67.17 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.793 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.66 170.71 15.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 111.329 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.32 150.17 21.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.119 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 23' ' ' ILE . 80.9 mt -102.08 146.73 27.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.004 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -61.51 121.42 12.67 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.041 176.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.574 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p30 -77.98 -31.66 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -85.5 -9.22 57.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' ' 22' ' ' SER . 2.0 t90 -99.59 171.89 7.64 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.692 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -80.91 140.07 35.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.35 0.595 . . . . 0.0 112.598 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.03 -16.65 15.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.675 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -59.8 -43.89 94.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.733 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.32 -19.42 36.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.3 m -72.97 -36.98 67.21 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 60.34 91.01 0.06 Allowed 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.951 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 67' ' ' VAL . 73.8 mt -113.81 12.65 18.29 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -93.43 -46.24 7.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.779 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -101.14 -17.21 16.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -84.18 -159.67 0.41 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.784 0.326 . . . . 0.0 111.182 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 4' ' ' PHE . 11.8 tt -91.78 144.0 10.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 61' ' ' LEU . 3.9 t -84.88 139.84 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -109.73 124.99 52.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -118.41 118.98 59.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 120.998 0.428 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -117.14 146.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.078 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -102.94 128.45 49.74 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 35.9 ttp180 -127.92 79.46 73.68 Favored Pre-proline 0 C--N 1.317 -0.842 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.34 154.28 45.82 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.442 2.094 . . . . 0.0 113.53 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -122.26 136.09 54.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.415 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 66.58 16.73 10.48 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.55 0.69 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? . . . . . 0 C--O 1.242 0.701 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.963 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 22.8 ptt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -116.01 121.79 68.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.649 0.261 . . . . 0.0 110.395 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -114.83 156.35 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.258 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.91 138.92 32.03 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.2 p -137.89 135.71 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.024 0.44 . . . . 0.0 111.256 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 66' ' ' ILE . 30.5 mtp180 -105.58 121.65 44.41 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.675 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -95.96 150.57 20.31 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.17 131.39 49.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.155 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 m 69.03 22.59 6.89 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.365 0.602 . . . . 0.0 110.78 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -147.28 178.45 8.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.265 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' CG ' ' H ' ' A' ' 12' ' ' GLY . 15.5 t-80 -103.09 -157.2 0.6 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' CG ' ' A' ' 11' ' ' HIS . . . -99.53 118.14 6.09 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.598 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -114.65 148.21 39.83 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.7 127.52 10.28 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.707 2.271 . . . . 0.0 112.91 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 HH11 ' A' ' 33' ' ' ARG . 69.9 t -120.24 118.79 57.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.176 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.48 126.46 31.69 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.773 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 26' ' ' LEU . 30.0 m -128.26 178.76 4.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -107.26 175.23 5.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 p -67.26 -32.89 74.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.31 0.576 . . . . 0.0 110.507 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.34 11.71 38.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.521 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.2 m -68.19 101.59 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 1.8 m -64.06 150.32 45.65 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.0 mm -56.58 -33.66 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.094 0.473 . . . . 0.0 110.108 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.88 -49.25 78.47 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.784 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.2 mt-30 -68.05 -39.98 82.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.868 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HG11 ' A' ' 17' ' ' VAL . 51.3 tp -54.96 -43.42 73.44 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 5.7 ttpm? -53.5 -44.96 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.115 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.45 -27.68 59.01 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.866 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.8 t -66.74 -41.04 87.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.484 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.28 -36.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.014 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.24 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.415 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -66.0 -32.62 74.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.734 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 HH11 HG22 ' A' ' 15' ' ' VAL . 58.5 ttt180 -66.57 -37.47 85.02 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.361 0.6 . . . . 0.0 110.379 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -93.34 -6.47 47.25 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.33 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.15 38.51 96.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.126 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.35 156.72 44.03 Favored Pre-proline 0 C--N 1.316 -0.85 0 O-C-N 122.904 -0.174 . . . . 0.0 110.872 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.17 109.75 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.514 2.142 . . . . 0.0 111.737 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.11 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.368 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.64 -36.07 81.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.446 HE22 ' HB2' ' A' ' 74' ' ' TRP . 52.4 mt-30 -101.28 21.55 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -100.5 140.01 35.37 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -128.74 129.54 45.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.454 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.16 132.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -134.41 127.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.272 0.558 . . . . 0.0 110.969 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 50' ' ' LEU . 86.3 t80 -148.88 141.77 24.71 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 11.32 7.44 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.405 0.441 . . . . 0.0 110.653 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.84 64.04 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.142 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.39 -173.93 3.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.371 0.585 . . . . 0.0 111.739 -178.326 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -79.18 142.0 36.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.198 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 45' ' ' PHE . 85.5 mt -82.95 -166.49 1.35 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.633 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -97.53 96.01 8.02 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.52 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 24.3 m-80 -57.5 -32.44 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.69 4.71 50.72 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' SER . 13.2 t-105 -116.35 168.65 9.95 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.419 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -75.03 156.26 36.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.225 0.536 . . . . 0.0 112.017 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.69 HG23 HD12 ' A' ' 61' ' ' LEU . 12.3 p -80.23 -30.61 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 48.9 tt0 -70.62 -43.39 69.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.148 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.35 -1.81 46.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.064 0.459 . . . . 0.0 110.629 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.22 -1.29 57.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.23 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 64' ' ' GLN . 14.9 m-20 68.97 11.57 8.38 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.909 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 HG23 ' A' ' 56' ' ' VAL . 61.5 mt -65.79 -16.86 64.19 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.959 0.409 . . . . 0.0 112.086 -177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 25.2 t70 -84.17 -28.45 27.37 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -101.49 -22.78 14.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.082 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 64.6 mm-40 -95.62 -156.1 0.5 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.799 0.333 . . . . 0.0 111.591 -177.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt -90.23 146.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 -176.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 61' ' ' LEU . 7.5 t -82.3 139.52 17.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.241 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -115.82 139.93 49.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.96 0.41 . . . . 0.0 110.529 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.4 124.58 41.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 120.937 0.399 . . . . 0.0 110.456 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 148.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 32.1 tt0 -113.24 149.08 34.31 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.986 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 23.2 mmm180 -95.93 97.42 3.03 Favored Pre-proline 0 C--N 1.314 -0.976 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 1.5 Cg_endo -81.41 101.83 1.26 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.568 2.179 . . . . 0.0 113.156 -175.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.446 ' HB2' HE22 ' A' ' 40' ' ' GLN . 71.8 t90 -81.74 -33.5 30.99 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -123.18 99.83 6.55 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.267 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.102 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.614 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 62' ' ' ASP . 63.3 ttp . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.95 121.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 120.777 0.322 . . . . 0.0 110.758 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -114.3 135.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.79 143.08 32.03 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.54 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 12.1 p -141.09 140.17 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-O 121.147 0.498 . . . . 0.0 111.704 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -102.02 103.91 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 61.3 t80 -91.25 142.73 27.4 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.435 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.8 t30 -48.35 -45.58 35.65 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -108.08 29.58 7.17 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.483 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 6.1 t -153.87 -173.61 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -97.65 -171.43 2.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . -82.6 83.34 1.58 Allowed Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.601 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -92.87 152.37 41.53 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.643 0.259 . . . . 0.0 110.875 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -86.92 128.18 2.74 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.487 2.124 . . . . 0.0 112.988 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -110.8 119.5 59.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.965 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.1 119.26 23.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -123.09 165.8 18.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.38 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -94.56 160.93 14.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 49.7 m -68.33 -16.67 64.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.781 0.324 . . . . 0.0 111.599 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.94 13.94 24.44 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.571 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -71.38 108.86 5.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -63.9 152.54 39.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.932 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 54' ' ' TRP . 49.1 mm -62.24 -32.75 55.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 109.943 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.6 t80 -68.38 -40.18 81.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.4 mm-40 -69.06 -37.91 78.77 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.79 -38.36 78.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.896 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -58.75 -46.93 86.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.126 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.698 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 25' ' ' GLN . 98.9 t -57.42 -52.84 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 69' ' ' ILE . 59.3 t -65.62 -40.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.486 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 36' ' ' VAL . . . -63.55 -37.99 89.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -67.85 -47.72 68.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -62.37 -48.6 79.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.336 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -80.58 -33.04 36.34 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.524 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.78 44.46 4.51 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.53 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 28.6 m -125.82 157.1 70.1 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.63 119.31 6.32 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 111.387 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.85 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.52 -19.89 24.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 53.7 tp -61.14 131.4 50.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.545 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -106.43 133.08 51.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.319 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.73 130.66 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 111.074 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -129.45 135.28 61.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.626 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -138.75 126.57 22.25 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.251 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.82 18.29 9.6 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.11 0.564 . . . . 0.0 111.658 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.47 -0.05 65.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.852 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -126.61 176.11 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.706 0.289 . . . . 0.0 110.717 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -113.46 131.39 56.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.41 172.13 14.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.163 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.598 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -98.28 136.18 38.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.251 178.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.0 p30 -62.14 -26.16 68.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.46 10.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.496 ' O ' HG12 ' A' ' 23' ' ' ILE . 17.2 t-105 -109.61 161.32 15.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.49 0.186 . . . . 0.0 110.604 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 2.9 t -95.01 150.95 19.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.797 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 HD22 ' A' ' 61' ' ' LEU . 14.6 p -71.76 -28.02 29.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.735 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.6 tp-100 -71.35 -48.7 48.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -80.68 -2.55 47.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 9.2 t -94.31 -24.71 17.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.53 80.61 0.23 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.343 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.4 HD22 HG23 ' A' ' 56' ' ' VAL . 10.7 mp -102.29 -6.06 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 10.4 t0 -70.7 -44.95 65.91 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -112.12 -176.45 2.93 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.792 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' SEP . 12.7 mm100 63.69 55.07 1.74 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.57 0.543 . . . . 0.0 111.588 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . 0.423 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -91.45 154.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.426 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 t -81.48 138.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.76 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -114.27 122.14 45.83 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 37.7 mt -122.93 118.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.109 0.48 . . . . 0.0 110.26 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 62.4 t -109.5 133.35 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.082 -177.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 50.0 tp60 -147.06 138.48 24.09 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.893 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -87.85 112.51 49.4 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.94 102.57 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.229 1.953 . . . . 0.0 111.781 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -83.31 -26.98 30.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -127.06 79.85 1.91 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.876 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.367 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.659 0.266 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 59.6 mt -105.25 129.1 58.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.95 146.6 26.82 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.274 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' C ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -81.42 133.67 35.44 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG22 ' HB ' ' A' ' 67' ' ' VAL . 88.5 t -131.94 130.91 61.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.692 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 12.6 ptp180 -109.7 121.47 45.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.026 0.441 . . . . 0.0 110.289 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -96.62 126.88 42.1 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.469 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.53 22.78 13.17 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.363 0.601 . . . . 0.0 110.299 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p 55.31 14.63 1.13 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.238 1.015 . . . . 0.0 112.798 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -90.41 -68.77 0.76 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.017 0.437 . . . . 0.0 111.008 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -114.96 153.97 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.01 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.18 120.81 4.35 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 121.157 -0.544 . . . . 0.0 111.988 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -123.51 150.36 60.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-O 120.601 0.239 . . . . 0.0 110.949 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.3 129.7 7.76 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.473 2.115 . . . . 0.0 112.085 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.78 122.46 68.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.291 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.75 118.66 29.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.113 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.1 158.78 20.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.005 0.431 . . . . 0.0 111.434 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.66 163.09 13.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 p -61.63 -22.85 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.423 . . . . 0.0 111.16 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.94 18.33 17.34 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.2 m -75.01 111.06 9.84 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -72.4 150.27 43.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.76 -34.02 42.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.997 0.427 . . . . 0.0 110.482 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.74 -46.93 86.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.122 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.8 mm-40 -67.79 -43.29 80.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.65 -43.6 80.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.46 -47.07 85.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.966 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.4 -39.27 91.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.3 t -58.1 -49.06 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.67 0.271 . . . . 0.0 110.594 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.21 -37.89 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.712 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 92.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.64 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -68.07 -36.79 80.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.667 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.8 tmt_? -58.44 -41.98 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.952 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -91.44 -14.52 30.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.965 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.64 45.88 26.88 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.227 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.5 m -127.59 158.18 70.79 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 122.624 0.37 . . . . 0.0 110.306 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 36.4 Cg_endo -66.88 120.16 7.23 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.437 2.091 . . . . 0.0 111.798 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.69 -19.01 60.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.671 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.71 -45.07 94.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.362 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.29 20.55 12.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.0 tp -97.24 136.18 38.11 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -124.69 132.08 53.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.073 0.463 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.69 133.67 38.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.616 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -123.38 127.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.138 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 83.1 t80 -139.08 124.16 18.94 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.972 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.43 23.76 11.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.416 . . . . 0.0 112.048 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 12.21 63.89 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.308 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 18.6 ptpt -133.02 174.93 9.83 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.0 127.65 53.66 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.0 159.05 31.23 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.617 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -82.81 138.77 33.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.238 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.43 -29.24 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -93.88 62.59 3.17 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.333 0.587 . . . . 0.0 111.087 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 33.7 t-105 -162.89 158.27 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.289 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -79.14 144.16 34.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.283 0.563 . . . . 0.0 112.139 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.58 -28.27 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.405 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.81 -35.7 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.851 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.51 -18.29 54.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.444 . . . . 0.0 110.763 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.522 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 85.0 m -82.68 -20.68 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 11.7 m-20 58.76 71.95 0.56 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.293 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 10.4 mp -86.15 0.85 52.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.545 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.62 -3.23 49.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 0.0 110.558 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 15.0 mm100 -78.13 -39.35 41.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.101 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.36 170.46 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 ' HE ' ' A' ' 6' ' ' ARG . 17.2 tt -153.75 145.82 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HB ' HG22 ' A' ' 5' ' ' VAL . 21.5 t -90.84 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.473 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 12.0 m170 -107.56 131.95 53.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.1 120.79 41.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.111 0.481 . . . . 0.0 110.508 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -122.15 147.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.855 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' OE1' ' HE2' ' A' ' 76' ' ' LYS . 7.0 tt0 -97.94 142.26 29.9 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -107.71 98.71 25.88 Favored Pre-proline 0 C--N 1.313 -1.004 0 CA-C-O 120.805 0.335 . . . . 0.0 110.505 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 53.8 Cg_exo -57.18 128.61 30.4 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.339 2.693 . . . . 0.0 113.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -97.0 -53.76 3.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.266 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -140.59 32.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.853 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE2' ' OE1' ' A' ' 71' ' ' GLN . 28.7 mtpp . . . . . 0 C--O 1.246 0.886 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.318 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 27.0 ttt . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.38 117.23 54.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.363 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.84 151.85 23.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.919 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HB2' HG13 ' A' ' 66' ' ' ILE . 58.0 m-85 -88.88 140.72 29.15 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.088 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -132.24 133.38 60.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 111.513 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HG3' HD13 ' A' ' 66' ' ' ILE . 77.1 mtp180 -110.96 107.8 17.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.557 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HD2' ' H ' ' A' ' 9' ' ' SER . 15.5 t80 -81.81 143.86 31.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 8.1 t30 -53.34 -23.14 8.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.194 0.597 . . . . 0.0 112.424 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.404 ' H ' ' HD2' ' A' ' 7' ' ' PHE . 15.8 m -80.33 29.78 0.29 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m 61.71 32.16 18.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.695 0.398 . . . . 0.0 111.424 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -124.19 111.13 15.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.325 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.43 118.2 4.31 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 7.0 p90 -140.08 159.51 63.94 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 116.692 0.246 . . . . 0.0 110.916 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.05 128.94 6.67 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.761 2.307 . . . . 0.0 111.451 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CE1' ' A' ' 13' ' ' PHE . 58.3 t -109.19 122.33 63.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.62 113.72 26.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.547 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.26 -179.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -98.31 175.32 6.1 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.998 0.427 . . . . 0.0 110.713 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 6.1 p -80.31 -3.46 49.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 110.522 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -115.26 14.15 16.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.9 m -79.41 102.54 8.77 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 121.142 0.496 . . . . 0.0 110.998 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 7.3 m -66.49 152.66 44.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 47.4 mm -57.22 -31.86 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 59.5 t80 -63.84 -47.03 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.396 0.617 . . . . 0.0 109.421 176.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm100 -66.25 -38.91 89.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.445 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -54.25 -45.97 72.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.73 -46.09 88.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.62 -34.14 76.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.153 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.0 t -61.0 -47.99 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.035 0.445 . . . . 0.0 109.808 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.67 -38.44 80.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.7 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.56 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -75.27 -24.67 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.362 . . . . 0.0 110.988 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -70.95 -39.75 72.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.187 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.72 -19.3 20.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.617 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.59 46.83 6.23 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.736 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.48 154.05 62.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.471 0.177 . . . . 0.0 110.594 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.43 115.65 3.64 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.602 2.201 . . . . 0.0 111.826 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.26 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.986 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 0.0 110.475 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.05 26.28 10.57 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.732 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.0 tp -122.11 142.97 49.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.726 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -133.77 136.49 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 0.0 111.472 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.04 134.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.395 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.9 135.91 62.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.288 0.566 . . . . 0.0 111.216 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 50' ' ' LEU . 88.9 t80 -152.28 128.27 10.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.268 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.56 21.88 12.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.364 0.415 . . . . 0.0 111.882 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.99 -3.0 76.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.087 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -126.15 -175.66 3.43 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.56 140.98 39.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.565 ' HB2' HG21 ' A' ' 23' ' ' ILE . 86.6 mt -76.42 150.82 36.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.38 0.609 . . . . 0.0 111.843 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 9.2 ptm180 -61.77 108.89 1.08 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.519 -1.219 . . . . 0.0 110.388 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.5 p30 -60.45 -22.54 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.215 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.09 -18.52 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.546 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.509 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 17.4 t-105 -93.22 157.67 16.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.761 0.315 . . . . 0.0 111.747 -175.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 4.4 t -86.09 145.74 26.92 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.812 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.47 -29.2 30.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.99 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.592 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -63.92 -54.15 39.21 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.53 -176.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -71.31 -19.71 62.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.594 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.4 -15.71 59.88 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.038 0.447 . . . . 0.0 110.317 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.6 m-20 54.84 50.49 15.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.159 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.22 -27.31 63.81 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.975 0.417 . . . . 0.0 110.784 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.37 -26.89 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.887 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -102.65 7.14 39.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.958 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 75.8 mm-40 -120.15 -154.78 0.59 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . 0.457 ' HA ' ' O2P' ' A' ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.1 tt -91.16 148.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 120.914 0.387 . . . . 0.0 110.706 -177.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 5' ' ' VAL . 58.6 t -84.28 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -116.31 151.33 36.07 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.6 mt -139.11 123.09 19.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.933 0.397 . . . . 0.0 110.56 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 34.7 m -107.17 144.0 16.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.973 0.416 . . . . 0.0 111.058 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.31 121.19 41.45 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -127.31 86.65 58.18 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-O 120.939 0.399 . . . . 0.0 111.01 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -95.25 159.49 1.64 Allowed 'Trans proline' 0 N--CA 1.435 -1.962 0 C-N-CA 122.768 2.312 . . . . 0.0 111.659 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.7 m-90 -82.04 80.79 8.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.914 0.388 . . . . 0.0 110.625 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 57.71 81.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.446 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.487 177.191 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.473 HG12 ' HG2' ' A' ' 16' ' ' GLU . 77.8 mt -100.03 117.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.08 155.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' C ' HG13 ' A' ' 66' ' ' ILE . 76.3 m-85 -92.18 130.02 37.99 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.78 129.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.264 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.5 ptp180 -114.89 119.45 36.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.149 0.499 . . . . 0.0 109.723 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -91.29 145.93 24.24 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.38 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.01 30.86 3.0 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.368 1.067 . . . . 0.0 112.909 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m 65.95 20.67 11.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.455 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -87.16 -152.49 0.19 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -75.05 159.98 31.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.863 0.364 . . . . 0.0 110.809 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.86 130.76 10.47 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.682 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -116.61 154.86 49.28 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.4 125.49 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.729 2.286 . . . . 0.0 112.522 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -112.92 117.03 54.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.815 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 2' ' ' ILE . 2.1 tm-20 -90.69 113.75 25.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.192 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.26 -174.33 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.444 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -94.21 168.22 11.05 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.5 ' HB3' ' OE1' ' A' ' 57' ' ' GLN . 66.3 m -83.27 7.76 15.43 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.491 0.662 . . . . 0.0 109.653 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.97 4.23 8.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.971 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -67.73 114.91 6.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 15.9 m -69.46 148.67 49.22 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 50.2 mm -54.58 -36.68 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 56.3 t80 -64.57 -41.97 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 0.0 110.232 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.4 mt-30 -65.17 -41.96 94.13 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.376 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.235 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.14 -40.28 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.049 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.9 -35.55 80.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' GLN . 79.9 t -64.95 -49.9 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.259 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.87 -36.68 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.22 60.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.384 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -29.6 64.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -64.38 -38.89 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.241 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.02 -20.15 16.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.766 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.56 45.83 5.39 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 33.1 m -123.94 157.5 63.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 C-N-CA 122.2 0.2 . . . . 0.0 110.565 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 36' ' ' VAL . 43.6 Cg_endo -69.53 113.66 3.41 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.414 2.076 . . . . 0.0 112.063 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -28.45 68.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.896 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.74 -40.89 79.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.154 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 96.8 mt-30 -94.69 16.36 15.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.545 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.56 136.84 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.701 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -122.84 131.12 53.61 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.568 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.38 116.15 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.158 0.504 . . . . 0.0 110.61 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.97 136.39 54.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.306 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -128.25 107.23 9.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.46 -63.58 0.34 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.973 0.796 . . . . 0.0 111.187 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.03 2.22 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -120.76 179.0 4.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.798 0.332 . . . . 0.0 110.353 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -121.93 131.13 53.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' HG21 ' A' ' 23' ' ' ILE . 27.7 mt -71.4 142.09 50.32 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.852 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -57.8 113.31 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.701 177.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 p-10 -56.7 -33.01 66.04 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.74 17.36 19.51 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.605 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 6.7 t90 -117.69 166.47 12.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.148 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -68.95 144.32 54.19 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.509 HG23 HD12 ' A' ' 61' ' ' LEU . 14.7 p -79.09 -20.75 12.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.416 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.5 ' OE1' ' HB3' ' A' ' 19' ' ' SER . 24.3 tt0 -58.69 -47.17 85.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 13.4 t-20 -85.05 8.06 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.333 0.587 . . . . 0.0 110.903 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' A' ' 23' ' ' ILE . 84.4 m -93.29 -15.76 25.46 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.38 38.14 27.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.578 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.512 HD13 ' CG2' ' A' ' 67' ' ' VAL . 51.0 mt -71.83 2.83 4.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.439 0.638 . . . . 0.0 111.109 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.01 -18.43 13.36 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.479 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -107.34 -51.73 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.22 -68.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 ' C ' ' A' ' 4' ' ' PHE . 20.0 tt -92.09 154.49 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.498 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.2 t -88.16 132.64 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 6' ' ' ARG . 9.4 m170 -106.68 108.59 20.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.15 119.92 53.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.29 0.567 . . . . 0.0 111.548 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.88 140.05 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.818 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -116.91 143.3 45.86 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.373 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -129.22 76.6 78.81 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-O 121.001 0.429 . . . . 0.0 110.029 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 69.0 Cg_endo -93.4 164.37 2.4 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 123.161 2.574 . . . . 0.0 111.993 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -109.39 -18.96 13.43 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.152 0.501 . . . . 0.0 110.085 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -136.73 93.45 2.86 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.185 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.355 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 87.2 mt -82.94 112.1 20.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 62' ' ' ASP . 34.5 m -101.68 168.23 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.302 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' C ' HG13 ' A' ' 66' ' ' ILE . 28.2 m-85 -104.46 125.3 50.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.126 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 67' ' ' VAL . 94.7 t -132.25 142.84 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.654 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -130.3 122.17 27.46 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.369 0.604 . . . . 0.0 110.842 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -87.25 152.25 22.46 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -51.79 -25.27 7.29 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -101.94 15.99 27.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -140.31 174.44 10.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -96.68 -52.42 3.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.332 0.587 . . . . 0.0 110.048 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 129.74 1.3 Allowed Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.658 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -139.13 143.11 35.35 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-O 120.771 0.32 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.57 137.55 14.64 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.363 2.042 . . . . 0.0 111.938 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.75 119.25 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.972 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 41.7 tt0 -84.42 111.97 19.94 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.95 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.24 174.39 4.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.07 162.26 28.69 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 m -62.0 -25.97 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.376 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.78 70.84 1.08 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.954 0.883 . . . . 0.0 111.326 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -103.83 107.39 18.24 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.038 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -61.27 144.66 53.44 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.538 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 44.8 mm -54.1 -32.38 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 120.797 0.332 . . . . 0.0 111.184 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 51.8 t80 -62.44 -48.96 77.36 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.069 0.461 . . . . 0.0 110.03 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.0 mm100 -67.03 -39.43 86.99 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.446 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.44 -41.75 76.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.25 -42.71 91.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.038 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.32 -31.82 66.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.955 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -59.45 -46.72 92.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.99 0.424 . . . . 0.0 110.402 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.96 -39.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.225 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.99 93.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.614 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -66.61 -40.36 88.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.258 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -61.6 -37.86 85.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.912 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -94.6 -11.7 28.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.899 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 45.21 66.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.64 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.6 m -122.95 156.78 61.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.55 0.214 . . . . 0.0 110.783 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.7 125.0 11.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.291 1.994 . . . . 0.0 111.729 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.16 48.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.486 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.94 -51.61 31.37 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.083 0.468 . . . . 0.0 110.344 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -90.64 11.3 22.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.723 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -95.67 135.2 37.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.213 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -121.48 141.07 51.38 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.887 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 HG12 ' A' ' 69' ' ' ILE . 34.8 m -118.02 130.99 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 39.8 mm -124.65 132.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 75.6 t80 -151.4 135.72 16.83 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 72.0 18.68 4.87 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -5.97 79.32 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.285 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -170.31 3.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.58 151.05 20.35 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.399 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' HG21 ' A' ' 23' ' ' ILE . 94.4 mt -97.66 159.1 15.13 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.061 0.458 . . . . 0.0 110.911 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' HB2' ' A' ' 54' ' ' TRP . 7.8 ptm180 -63.46 122.84 17.24 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.636 175.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p30 -66.54 -22.34 66.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -92.47 17.42 10.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HD1' ' SG ' ' A' ' 59' ' ' CYS . 23.8 t-105 -119.59 150.73 39.81 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.149 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -73.05 150.22 42.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.848 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.17 -31.1 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.591 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' SER . 26.3 tp60 -60.77 -34.46 74.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.293 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -81.69 -17.3 48.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.56 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.531 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 61.1 m -97.47 -16.24 20.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 57.45 64.32 1.62 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD23 HG22 ' A' ' 67' ' ' VAL . 10.2 mp -83.2 8.52 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 110.765 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' HB3' HG12 ' A' ' 3' ' ' VAL . 8.0 p-10 -115.07 0.53 13.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.982 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -119.16 -64.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.172 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.47 -84.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 4' ' ' PHE . 17.0 tt -98.88 151.43 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 HD23 ' A' ' 61' ' ' LEU . 13.5 t -80.89 111.04 17.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 12.1 m170 -84.26 110.33 18.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.332 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.418 HG12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -114.38 128.59 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 120.977 0.418 . . . . 0.0 111.511 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -133.2 154.26 39.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.931 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 HE22 ' HB ' ' A' ' 36' ' ' VAL . 7.5 tt0 -136.59 147.85 47.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -121.25 88.08 45.18 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-O 121.336 0.589 . . . . 0.0 110.989 177.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 -178.63 2.24 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.99 2.46 . . . . 0.0 112.401 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CH2' ' HD3' ' A' ' 75' ' ' ARG . 74.3 t90 -135.29 110.25 8.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.988 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HD3' ' CH2' ' A' ' 74' ' ' TRP . 63.3 mtp180 59.61 40.39 20.22 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.807 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.068 177.816 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.936 0.398 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.47 118.11 49.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 13.1 m -104.0 156.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.496 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -101.96 138.83 38.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.886 0.374 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.87 129.5 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 CA-C-O 121.487 0.66 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -106.45 101.92 11.35 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.681 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.86 121.24 25.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.68 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.36 22.94 13.56 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.4 0.619 . . . . 0.0 109.812 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m 66.7 14.1 9.63 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.483 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -91.8 120.36 32.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.6 m80 64.37 -79.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.09 81.38 1.29 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 26.5 p90 -94.34 154.44 40.35 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-O 120.688 0.28 . . . . 0.0 111.501 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 1.2 Cg_endo -86.67 135.32 4.14 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.032 2.488 . . . . 0.0 112.43 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.87 130.71 74.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.343 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.93 133.16 34.29 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.041 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.42 172.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.86 168.26 9.4 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 22.6 p -64.96 -19.19 65.84 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.12 7.24 21.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.678 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -64.24 111.47 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 111.136 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 22.9 m -72.71 153.66 41.06 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.944 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.31 -33.81 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.036 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 67.2 t80 -60.45 -46.5 89.84 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.986 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.6 mm-40 -64.62 -44.58 90.09 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.135 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 tp -57.5 -42.05 81.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.98 -46.02 89.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.869 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.15 -39.68 93.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.369 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.0 t -59.01 -48.03 88.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.998 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.61 -37.96 75.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -53.52 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.672 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 62.8 pttt -66.63 -30.15 70.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.93 -31.12 69.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -101.41 -3.17 29.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.388 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.62 34.0 63.31 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.664 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.97 157.55 48.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 O-C-N 122.654 -0.321 . . . . 0.0 111.021 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.94 127.79 12.53 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.338 2.025 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.42 45.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 111.15 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.2 -35.02 75.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.636 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -107.59 25.68 11.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.31 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.3 tp -103.96 137.86 41.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.48 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -107.34 139.48 41.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.226 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 m -120.68 118.31 56.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.224 0.535 . . . . 0.0 110.939 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -122.23 136.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -145.54 126.6 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.612 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.15 25.17 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.418 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.36 -8.55 77.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.131 -0.557 . . . . 0.0 113.526 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.53 35.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.123 0.461 . . . . 0.0 111.772 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.55 140.25 39.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -87.06 133.95 33.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.63 133.37 54.77 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.07 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 9.5 p30 -65.4 -28.95 69.62 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -102.62 73.01 1.27 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.57 0.7 . . . . 0.0 111.171 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 22' ' ' SER . 57.7 t-105 -157.44 150.68 23.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.524 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -78.17 138.67 38.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.501 0.667 . . . . 0.0 111.908 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG22 HD23 ' A' ' 61' ' ' LEU . 10.2 p -74.8 -22.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.571 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 5.7 tp-100 -68.02 -42.68 80.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 -176.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.87 -6.52 49.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 111.099 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -88.43 -16.71 32.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.649 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 11.5 m-20 49.76 51.63 16.14 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . 3.4 mm? -61.06 -24.09 65.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.722 0.296 . . . . 0.0 111.277 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.28 -32.0 73.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -99.6 -37.4 9.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.25 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 67.6 mm-40 -78.46 -160.39 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 0.0 111.152 -177.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt -90.62 150.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.669 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.92 129.4 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.724 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -100.7 108.54 20.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.027 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -116.23 124.43 72.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -135.4 148.63 28.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.444 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 6.9 tt0 -98.99 139.14 35.09 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.396 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -108.78 96.78 21.07 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 10.8 Cg_exo -71.0 96.14 0.68 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.403 2.068 . . . . 0.0 111.925 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -70.7 -20.71 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.491 0.663 . . . . 0.0 109.633 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.01 98.49 5.92 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.65 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HD3' ' OXT' ' A' ' 76' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.309 -1.159 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.488 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.63 123.0 48.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 62' ' ' ASP . 32.8 m -111.66 165.97 6.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 66' ' ' ILE . 41.8 m-85 -111.6 137.33 49.6 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.467 HG12 ' HB ' ' A' ' 67' ' ' VAL . 34.5 m -134.49 145.32 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-O 121.309 0.576 . . . . 0.0 111.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -104.3 147.94 26.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.636 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 21.0 t80 -130.2 143.12 50.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' VAL . 5.5 p-10 -60.18 -23.38 63.93 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -103.58 12.49 34.9 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -153.97 -167.24 2.6 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.5 -74.29 0.55 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.94 140.2 5.19 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -139.85 150.62 63.26 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 116.985 0.393 . . . . 0.0 111.541 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -80.29 139.79 13.36 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.732 2.288 . . . . 0.0 112.13 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.48 127.03 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.72 116.12 23.06 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.24 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.525 HG11 HD13 ' A' ' 26' ' ' LEU . 18.7 m -125.21 174.34 9.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.69 176.21 5.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.967 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -70.18 -35.1 73.73 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.906 0.384 . . . . 0.0 111.23 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -97.04 10.95 37.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -66.89 116.38 7.69 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.274 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -71.13 150.44 45.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 46.8 mm -60.61 -38.87 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.188 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.64 -40.82 96.11 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 mm100 -66.26 -39.87 89.78 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.984 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HG11 ' A' ' 17' ' ' VAL . 35.1 tp -59.97 -48.59 81.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.44 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 41' ' ' LEU . 39.4 ttpt -60.98 -37.46 82.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 109.613 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -65.5 -43.08 91.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.154 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 25' ' ' GLN . 84.0 t -60.99 -48.6 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.59 -36.77 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.865 0.364 . . . . 0.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.73 31.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.148 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 48.5 pttt -66.24 -30.43 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.276 . . . . 0.0 111.238 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -63.76 -47.45 80.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.838 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -82.61 -15.53 51.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.95 29.46 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.72 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -118.35 163.0 27.35 Favored Pre-proline 0 C--N 1.317 -0.832 0 C-N-CA 122.285 0.234 . . . . 0.0 110.414 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.08 119.05 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.671 2.248 . . . . 0.0 112.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.77 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.83 -52.99 61.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.365 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -106.19 32.18 4.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.296 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 30.1 tp -96.69 130.82 43.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -116.4 122.52 45.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.901 0.381 . . . . 0.0 111.274 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 69' ' ' ILE . 18.9 m -100.79 119.98 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -115.7 128.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 0.0 111.217 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -133.7 122.15 22.97 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.224 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.19 15.57 8.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.124 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.63 -2.52 49.32 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.26 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -132.15 170.33 15.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.968 0.384 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.29 136.66 39.83 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 61' ' ' LEU . 75.6 mt -71.28 154.02 41.95 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.554 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 54' ' ' TRP . 5.4 ptm180 -65.32 108.56 1.97 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.712 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p30 -65.83 -21.04 66.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.421 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.96 4.97 48.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.521 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.2 t-105 -115.1 177.23 4.73 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.654 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -83.94 160.59 21.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.115 0.566 . . . . 0.0 111.619 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.38 -38.05 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.21 -32.51 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.979 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -67.99 -17.14 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.0 110.174 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.9 t -88.38 -15.58 35.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.187 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 56.37 47.14 19.62 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.597 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mm? -51.54 -56.24 14.57 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' HG12 ' A' ' 3' ' ' VAL . 27.0 t70 -62.2 -26.0 68.11 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.048 0.452 . . . . 0.0 111.818 -177.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.77 11.12 30.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -128.03 -71.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PHE . 19.6 tt -91.55 141.76 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' HG12 ' A' ' 5' ' ' VAL . 18.0 t -86.01 136.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.639 0.256 . . . . 0.0 110.586 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -99.94 107.99 20.11 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 39.1 mt -105.77 119.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-O 121.117 0.484 . . . . 0.0 110.933 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' ' 8' ' ' ASN . 34.9 m -124.65 137.65 56.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.8 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -107.99 153.46 23.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.878 0.37 . . . . 0.0 110.527 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -145.26 92.77 5.57 Favored Pre-proline 0 C--N 1.313 -0.992 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.631 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.17 94.79 0.36 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.712 2.275 . . . . 0.0 112.885 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -61.62 -64.48 0.93 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.497 0.665 . . . . 0.0 109.519 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -128.42 26.45 5.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.467 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt . . . . . 0 C--O 1.242 0.677 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.677 -178.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.091 0.472 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.86 113.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.57 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.44 157.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.04 136.46 34.3 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.682 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB ' ' A' ' 67' ' ' VAL . 46.6 t -133.53 130.23 56.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.689 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 57.0 mtp180 -103.68 103.2 13.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.313 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -80.95 134.72 35.76 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 66.55 16.17 10.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.468 0.707 . . . . 0.0 109.345 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t 65.93 20.22 11.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.556 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -92.55 -146.24 0.22 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.597 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.7 142.08 50.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.893 0.378 . . . . 0.0 111.525 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.29 126.95 8.88 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.552 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -120.51 147.17 44.84 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.7 132.0 22.5 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.473 2.115 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -117.71 125.4 74.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.394 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.82 121.86 35.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.88 0.372 . . . . 0.0 111.316 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.87 171.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.455 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.44 168.99 12.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.8 p -64.2 -39.32 93.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.231 0.539 . . . . 0.0 111.63 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -91.0 17.3 8.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.076 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.08 123.89 23.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.051 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 84.0 p -79.13 160.96 26.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 50' ' ' LEU . 48.9 mm -60.68 -30.11 46.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.893 0.378 . . . . 0.0 110.61 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 76.3 t80 -66.56 -46.67 75.29 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 mt-30 -61.58 -44.04 97.75 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.04 -44.56 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.418 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -61.88 -44.27 97.15 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.42 -37.26 86.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' GLN . 85.1 t -61.44 -46.1 97.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 110.092 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.74 -37.59 69.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.469 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -51.99 67.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.177 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -69.16 -28.4 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 110.656 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 1.3 tmt_? -65.95 -33.33 75.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.852 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -102.21 -7.1 22.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.144 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.75 41.95 81.32 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.855 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.83 161.79 44.57 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.107 0.163 . . . . 0.0 110.804 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.59 127.65 9.75 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.669 2.246 . . . . 0.0 111.697 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.0 -13.5 59.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.31 -58.33 8.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.116 0.484 . . . . 0.0 110.592 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -92.86 19.87 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.566 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.2 tp -92.98 125.61 37.66 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.483 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -105.97 132.97 51.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.543 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.21 127.47 67.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.5 mm -124.48 126.15 71.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 111.023 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 88.8 t80 -135.9 120.0 17.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.65 21.28 9.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.11 0.481 . . . . 0.0 110.982 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.6 11.73 70.78 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.936 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -142.93 159.99 41.19 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.14 148.05 25.37 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' ' 23' ' ' ILE . 90.3 mt -95.92 157.23 15.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.288 0.566 . . . . 0.0 111.574 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 51' ' ' ARG . 7.9 ptm180 -61.07 117.69 5.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.947 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 4.0 p-10 -57.93 -29.82 65.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.5 79.68 1.27 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.396 0.617 . . . . 0.0 111.533 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' O ' ' HA ' ' A' ' 22' ' ' SER . 48.5 t-105 -165.13 143.25 6.25 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.734 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -59.45 128.37 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.276 0.56 . . . . 0.0 112.17 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG23 HD22 ' A' ' 61' ' ' LEU . 11.9 p -68.48 -25.0 30.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -42.36 84.01 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.605 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.26 -19.66 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 75.8 m -77.61 -17.59 57.65 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.49 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 68.64 27.77 5.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.048 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG23 ' A' ' 56' ' ' VAL . 10.4 mp -64.09 -17.11 63.1 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.33 -40.18 64.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.192 0.52 . . . . 0.0 110.231 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -88.97 -32.23 17.74 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.184 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 65' ' ' SEP . 78.5 mm-40 -83.97 -163.6 0.8 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . 0.459 ' H ' ' HB3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.5 tt -91.03 147.43 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.912 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' HB ' HG22 ' A' ' 5' ' ' VAL . 8.2 t -87.26 132.78 31.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.905 -177.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.483 ' NE2' ' HD3' ' A' ' 6' ' ' ARG . 12.3 m-70 -106.19 108.27 19.69 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.3 mt -109.48 117.9 55.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.3 t -113.94 136.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 120.787 0.327 . . . . 0.0 110.726 -177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.465 HE22 ' HG3' ' A' ' 76' ' ' LYS . 19.2 tt0 -95.63 134.02 39.01 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HD3' ' HE1' ' A' ' 74' ' ' TRP . 57.0 ttt180 -103.09 106.56 51.57 Favored Pre-proline 0 C--N 1.309 -1.153 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.89 105.19 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.232 2.622 . . . . 0.0 113.572 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.416 ' HE1' ' HD3' ' A' ' 72' ' ' ARG . 49.7 m95 -113.94 -32.16 6.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.349 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -117.97 15.12 14.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.409 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' HE22 ' A' ' 71' ' ' GLN . 14.5 mmmm . . . . . 0 C--O 1.242 0.692 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.072 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 25.9 ttt . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 120.937 0.399 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.3 mt -96.26 119.65 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -118.09 150.56 20.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -93.3 140.15 29.87 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.41 138.04 36.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.133 0.492 . . . . 0.0 111.754 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 92.9 mtt180 -110.44 116.88 32.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.754 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -91.28 151.91 20.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.052 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.529 ' HB2' ' HA ' ' A' ' 70' ' ' VAL . 7.9 t30 -46.37 120.39 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.807 0.843 . . . . 0.0 112.302 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 66.63 15.2 10.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.051 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -127.36 -175.94 3.59 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -109.07 -175.49 2.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 120.75 0.309 . . . . 0.0 111.344 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.72 129.36 9.09 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.442 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -134.0 145.6 56.45 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.89 135.83 10.21 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.35 2.033 . . . . 0.0 112.687 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.12 123.01 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.396 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.41 109.58 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.527 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 26' ' ' LEU . 27.1 m -112.86 164.38 8.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.51 156.95 16.12 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 m -64.31 -9.41 17.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.86 7.87 12.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.204 0.526 . . . . 0.0 111.07 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -71.34 108.06 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.414 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 155.63 40.09 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.021 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.4 mm -56.46 -36.92 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 120.866 0.365 . . . . 0.0 110.697 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 71.9 t80 -62.21 -45.32 93.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.988 176.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.0 mm-40 -63.18 -43.85 97.07 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.36 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 HG11 ' A' ' 17' ' ' VAL . 41.6 tp -57.29 -44.35 83.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.064 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpp -61.14 -42.73 99.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.142 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.39 -37.14 82.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.175 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' GLN . 65.9 t -59.98 -51.04 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.05 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.737 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 29' ' ' VAL . 59.6 pttt -65.44 -34.62 78.72 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.502 0.191 . . . . 0.0 111.471 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -61.55 -42.78 99.33 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.16 -7.25 42.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.53 40.41 59.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.353 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.73 154.45 48.05 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.27 115.99 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.415 2.077 . . . . 0.0 112.076 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.85 64.89 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -71.99 -21.82 61.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 81.6 mm-40 -107.74 10.91 28.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.523 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.96 137.5 42.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.568 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -123.88 133.1 53.83 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.349 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.51 128.9 62.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.093 0.473 . . . . 0.0 110.71 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.95 119.58 56.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.776 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 61' ' ' LEU . 76.6 t80 -117.55 116.45 27.13 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.157 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.91 20.42 12.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.196 0.522 . . . . 0.0 111.34 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.18 4.12 69.07 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.001 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -129.47 171.81 12.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.134 0.492 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.2 143.02 36.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.974 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 mt -98.43 -166.8 1.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.732 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -101.83 122.82 44.7 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.9 p-10 -56.2 -36.08 68.01 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -173.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.51 17.8 10.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.425 ' CB ' ' HG2' ' A' ' 51' ' ' ARG . 22.6 t-105 -110.96 150.79 28.73 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.948 -0.47 . . . . 0.0 110.469 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.67 148.68 51.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.49 0.662 . . . . 0.0 112.233 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' CG2' HD22 ' A' ' 61' ' ' LEU . 11.9 p -74.25 -24.36 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.5 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -63.69 -57.77 8.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.005 -178.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -64.62 -17.61 64.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.257 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.0 m -80.37 -8.18 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.154 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 51.06 58.55 5.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.62 0.768 . . . . 0.0 112.795 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 11.0 mp -70.3 -57.79 4.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.737 0.303 . . . . 0.0 111.13 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.08 -35.63 59.78 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.305 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -75.29 -38.34 60.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.216 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -92.84 -76.4 0.47 Allowed 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.6 tt -91.0 147.3 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.243 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG21 HD23 ' A' ' 61' ' ' LEU . 13.0 t -85.6 139.17 17.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -112.4 108.2 17.27 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.55 118.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 121.044 0.449 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 8' ' ' ASN . 8.8 p -120.36 135.85 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.971 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -104.17 120.1 40.4 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.8 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.31 89.3 45.05 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.772 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 5.4 Cg_exo -73.65 115.38 4.31 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.732 2.288 . . . . 0.0 112.851 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -80.76 -25.42 37.97 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 75' ' ' ARG . 4.8 tpm_? -156.56 100.76 1.97 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.486 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.814 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.933 0.397 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -99.19 122.3 50.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.0 147.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' C ' HG13 ' A' ' 66' ' ' ILE . 93.9 m-85 -92.38 129.08 38.41 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.317 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -139.63 135.35 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.414 0.626 . . . . 0.0 112.409 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 89.0 mtt180 -107.89 108.92 20.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.055 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -80.57 127.13 32.1 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 65.1 15.71 10.15 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.631 0.582 . . . . 0.0 109.612 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m 58.58 29.72 18.84 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.966 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -67.01 -79.21 0.05 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.113 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -132.43 -58.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.79 131.16 3.32 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.584 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -137.87 149.92 65.94 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.19 112.3 0.57 Allowed 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.816 2.344 . . . . 0.0 112.968 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -99.14 124.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.035 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.89 117.39 30.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -124.17 -179.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.355 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -92.52 172.06 8.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -63.8 -37.32 86.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.116 0.484 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.03 69.24 1.3 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.498 0.666 . . . . 0.0 109.628 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -119.75 111.83 18.5 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.136 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 21.4 m -73.12 151.12 41.73 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -57.03 -34.13 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.53 -49.69 75.52 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.176 0.513 . . . . 0.0 109.847 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.7 mt-30 -65.62 -43.14 90.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.366 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.37 -42.58 82.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -60.66 -45.04 95.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.937 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -68.11 -33.42 74.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.959 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 25' ' ' GLN . 82.7 t -62.96 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 110.18 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -37.19 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.155 0.503 . . . . 0.0 110.17 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.02 83.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.62 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.94 -30.58 69.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.368 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -65.4 -51.53 59.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.677 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -82.92 -13.94 55.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.608 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.63 47.69 14.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.714 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.555 ' HB ' HE22 ' A' ' 71' ' ' GLN . 35.9 m -126.03 154.85 73.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 C-N-CA 122.126 0.17 . . . . 0.0 110.646 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.25 112.18 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.768 2.312 . . . . 0.0 112.309 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB1' ' OE1' ' A' ' 28' ' ' GLU . . . -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.555 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.63 -31.09 69.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -102.23 21.06 15.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.32 144.85 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.737 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -131.18 134.91 46.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.445 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.6 m -102.98 123.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.004 0.431 . . . . 0.0 111.975 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -119.21 131.54 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.08 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -119.73 110.56 16.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.66 -66.25 0.25 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.747 0.819 . . . . 0.0 111.636 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.02 17.38 0.22 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.689 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 164.62 33.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.17 159.68 14.77 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.778 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.46 151.47 24.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 152.98 43.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -81.33 -26.53 35.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.942 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.84 74.36 1.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.567 0.699 . . . . 0.0 111.294 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.0 t-105 -165.73 148.87 7.73 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.53 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 t -80.47 143.65 33.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.312 0.577 . . . . 0.0 111.804 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG23 HD22 ' A' ' 61' ' ' LEU . 11.2 p -73.54 -24.83 20.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.9 -45.9 90.35 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.431 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -16.08 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 -178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.8 m -87.71 -22.91 24.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 59.2 48.17 10.73 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.305 0.642 . . . . 0.0 112.416 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 56' ' ' VAL . 6.5 mp -71.65 0.33 8.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.027 0.442 . . . . 0.0 111.438 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.23 -19.92 19.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -106.83 -34.59 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.39 -165.72 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.552 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 18.5 tt -90.06 147.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.173 0.511 . . . . 0.0 111.148 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG21 HD23 ' A' ' 61' ' ' LEU . 7.4 t -85.59 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.209 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -118.59 107.52 13.84 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.5 mt -95.56 119.15 43.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -106.41 135.0 46.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.555 HE22 ' HB ' ' A' ' 36' ' ' VAL . 20.2 tt0 -106.62 125.61 51.22 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.39 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -115.93 89.25 23.82 Favored Pre-proline 0 C--N 1.312 -1.039 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -71.68 150.17 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.719 2.28 . . . . 0.0 113.49 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -93.78 -49.93 5.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.776 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -139.73 96.54 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.385 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.866 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.107 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.54 0.21 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.9 mt -110.19 110.7 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.03 162.62 3.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 39.7 m-85 -105.19 143.26 33.62 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.83 139.65 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.891 0.377 . . . . 0.0 111.691 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HG3' HD13 ' A' ' 66' ' ' ILE . 82.7 mtp180 -109.6 97.41 6.97 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -83.44 141.88 31.37 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 64.83 14.76 9.42 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.545 0.688 . . . . 0.0 109.742 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t 64.01 19.15 11.62 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.26 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m -88.99 -158.8 0.52 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.482 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -61.73 137.9 58.28 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.84 0.353 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 66' ' ' ILE . . . -79.01 137.64 19.57 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.964 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -123.89 147.72 54.68 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.19 131.33 12.86 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.688 2.259 . . . . 0.0 113.173 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.48 119.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.242 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.17 125.92 30.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.811 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 26' ' ' LEU . 27.0 m -128.94 158.93 41.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.26 160.47 18.43 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -69.25 -24.64 64.02 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.93 -0.5 57.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -70.67 120.8 16.82 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -80.64 156.25 26.46 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 50' ' ' LEU . 49.3 mm -56.47 -38.56 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.733 0.302 . . . . 0.0 110.664 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.4 t80 -59.22 -44.27 92.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.1 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 mm-40 -66.46 -48.08 71.05 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 17' ' ' VAL . 24.8 tp -56.24 -43.56 78.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 86.7 tttt -57.58 -47.58 81.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.027 177.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.17 -37.44 78.18 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.733 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' GLN . 78.6 t -59.23 -49.87 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.568 0.223 . . . . 0.0 110.849 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.57 -45.6 98.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.174 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -63.1 -44.61 95.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.33 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -65.79 -41.24 92.22 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.276 0.63 . . . . 0.0 110.778 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -61.91 -45.07 95.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.737 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -85.37 -21.54 28.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.625 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 43.37 6.08 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.955 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.78 154.6 55.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.38 117.57 4.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.483 2.122 . . . . 0.0 111.95 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -76.19 -25.36 55.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.08 -15.64 63.02 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -117.2 17.64 14.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.573 0.701 . . . . 0.0 109.656 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 31' ' ' ALA . 28.1 tp -101.35 144.39 30.22 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.301 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.436 HH11 HG13 ' A' ' 44' ' ' ILE . 6.3 tmm_? -131.04 131.8 44.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.603 0.24 . . . . 0.0 111.024 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 m -107.16 143.99 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.353 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 HH11 ' A' ' 42' ' ' ARG . 25.7 mm -134.93 132.32 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.126 0.488 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -137.92 115.21 11.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.135 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.52 17.41 10.64 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.328 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.36 -14.79 47.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.422 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 155.02 33.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.094 0.447 . . . . 0.0 111.723 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.7 146.66 28.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.071 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' HB2' HG21 ' A' ' 23' ' ' ILE . 72.3 mt -87.31 151.86 22.77 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 -178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.552 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.67 122.26 17.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 29.3 p-10 -62.71 -46.66 87.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -87.53 57.76 4.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.962 0.411 . . . . 0.0 112.051 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -149.78 149.95 31.3 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.5 p -61.31 143.91 54.85 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.38 0.672 . . . . 0.0 111.793 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.18 -19.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.023 0.44 . . . . 0.0 110.103 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.7 -35.81 81.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -86.86 14.25 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.24 115.29 23.32 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -69.41 50.41 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.882 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.58 -25.95 54.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.062 0.458 . . . . 0.0 110.295 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -87.32 -29.26 21.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.643 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -82.39 -29.04 31.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.586 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' HB3' ' H ' ' A' ' 65' ' ' SEP . 16.1 mm-40 -102.4 -155.99 0.54 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.112 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . 0.412 ' H ' ' HB3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 6' ' ' ARG . 20.3 tt -89.98 147.57 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.824 -176.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 t -87.36 136.07 23.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.897 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -103.59 139.8 38.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.794 0.33 . . . . 0.0 110.852 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 41' ' ' LEU . 22.9 mt -135.48 129.61 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.487 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.02 138.93 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -96.03 130.56 43.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.036 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 72' ' ' ARG . 17.5 tpt180 -143.94 86.65 8.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.889 0.376 . . . . 0.0 110.445 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -99.23 126.35 0.16 Allowed 'Trans proline' 0 N--CA 1.442 -1.512 0 C-N-CA 123.199 2.6 . . . . 0.0 113.737 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -88.79 107.64 19.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.794 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 56.8 76.33 0.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.256 0.55 . . . . 0.0 111.202 -177.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.906 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.481 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.623 0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' ' 16' ' ' GLU . 70.2 mt -101.47 121.86 52.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.458 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.07 146.15 20.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 120.723 0.297 . . . . 0.0 110.352 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CB ' HG13 ' A' ' 66' ' ' ILE . 73.2 m-85 -84.77 128.9 34.83 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -134.41 139.36 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 112.122 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' NH2' ' HA ' ' A' ' 10' ' ' SER . 60.5 mtp180 -115.52 133.81 55.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.332 177.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -119.64 109.78 16.07 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.955 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.7 -44.83 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.209 . . . . 0.0 113.687 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -109.58 -170.49 1.66 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.059 0.457 . . . . 0.0 111.611 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.531 ' HA ' ' NH2' ' A' ' 6' ' ' ARG . 29.8 t -77.15 -11.56 59.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.67 126.34 28.1 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.009 0.433 . . . . 0.0 111.243 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.61 136.89 12.08 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.484 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -132.4 144.76 54.37 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-O 120.727 0.299 . . . . 0.0 110.61 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -81.42 121.31 3.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.16 119.69 51.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.8 tm-20 -87.87 115.88 25.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.06 168.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -73.57 164.31 26.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.75 -20.28 66.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.57 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.67 75.58 1.28 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.738 0.78 . . . . 0.0 109.934 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -121.44 108.8 14.08 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.174 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 16.4 m -65.26 151.34 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.483 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 50' ' ' LEU . 46.3 mm -57.89 -37.77 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 0.0 110.97 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.21 -42.58 96.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.965 0.412 . . . . 0.0 109.928 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 mt-30 -65.82 -45.62 81.64 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.753 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -54.62 -44.01 72.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.717 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.08 -46.97 84.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.874 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.01 -36.08 77.4 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 25' ' ' GLN . 76.1 t -61.4 -47.3 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.518 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -66.9 -41.98 88.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 109.926 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.78 63.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.584 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.58 -32.07 73.57 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.725 0.298 . . . . 0.0 110.501 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -58.45 -44.83 89.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.81 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -92.52 -19.68 21.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.025 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.81 39.19 6.26 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.094 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.6 m -117.58 153.09 50.38 Favored Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 122.817 -0.225 . . . . 0.0 110.667 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.03 116.49 4.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.687 2.258 . . . . 0.0 113.296 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.5 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.336 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -63.58 -22.67 67.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.973 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 11.9 pt20 -127.07 15.02 7.34 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.055 0.455 . . . . 0.0 110.19 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 71' ' ' GLN . 43.9 tp -84.39 128.81 34.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.756 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -103.05 138.57 39.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 69' ' ' ILE . 27.3 m -127.92 139.02 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.206 177.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.5 mm -126.17 120.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.22 0.534 . . . . 0.0 111.414 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 50' ' ' LEU . 53.1 t80 -129.84 111.59 12.74 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.57 22.09 13.02 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 111.243 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.47 15.35 58.66 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.15 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -149.16 174.6 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.67 -0.312 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -101.37 138.13 38.79 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 45' ' ' PHE . 89.0 mt -78.85 -178.24 5.91 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 54' ' ' TRP . 15.5 mmm180 -64.56 100.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.362 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -51.24 -51.83 50.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.784 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.1 65.81 1.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.439 0.638 . . . . 0.0 110.397 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.625 ' O ' ' HA ' ' A' ' 22' ' ' SER . 40.3 t-105 -164.27 147.4 9.29 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.836 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.76 142.56 58.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 112.76 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 61' ' ' LEU . 9.3 p -70.47 -25.58 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.653 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.588 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 27.4 tt0 -59.13 -47.42 85.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.538 -178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.82 -23.69 65.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.328 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -85.98 -11.75 52.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 57.68 52.16 8.58 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 67' ' ' VAL . 10.1 mp -68.27 -12.59 61.27 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.404 0.621 . . . . 0.0 110.885 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.13 -34.01 61.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -103.36 -32.09 9.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -104.79 107.86 19.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 4' ' ' PHE . 20.3 tt -127.6 148.31 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.439 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' CG2' HD23 ' A' ' 61' ' ' LEU . 15.8 t -81.72 120.94 34.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 120.609 0.243 . . . . 0.0 111.054 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -96.7 107.88 20.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.443 HG12 HG12 ' A' ' 43' ' ' VAL . 28.8 mt -106.94 128.86 61.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.44 135.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.642 0.258 . . . . 0.0 110.59 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.527 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 26.9 tt0 -135.69 125.47 25.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.57 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -132.55 83.25 54.57 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 4.3 Cg_exo -77.87 158.16 31.21 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.069 2.513 . . . . 0.0 112.626 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -88.5 -46.8 8.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.349 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -119.62 13.2 12.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.815 -176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 C--N 1.313 -1.014 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.456 -179.63 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.93 119.99 53.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.304 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.74 148.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 120.881 0.372 . . . . 0.0 110.542 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -89.87 137.25 32.5 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.778 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.36 139.17 42.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.431 0.634 . . . . 0.0 111.375 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 68' ' ' HIS . 15.4 mmm180 -102.76 144.86 30.57 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.685 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -136.86 150.5 48.31 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -52.79 123.16 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.824 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m 66.02 18.19 10.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.646 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -121.43 -162.96 1.0 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -117.68 -175.35 2.81 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.58 81.13 1.36 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -91.23 144.72 30.26 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-O 120.831 0.348 . . . . 0.0 111.65 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.42 131.87 5.75 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.595 2.196 . . . . 0.0 111.859 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG12 HG13 ' A' ' 17' ' ' VAL . 79.3 t -116.71 122.89 70.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.033 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.05 119.97 31.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.007 0.432 . . . . 0.0 110.593 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG11 HD13 ' A' ' 26' ' ' LEU . 19.5 m -131.74 174.65 12.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 2.1 m-20 -84.64 161.45 20.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 m -71.67 -25.98 62.34 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.279 0.561 . . . . 0.0 110.064 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -93.09 1.43 57.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.12 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 18' ' ' ASP . 54.5 m -66.31 120.13 12.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 73.7 p -75.1 158.31 33.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.238 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.6 mm -61.45 -24.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.22 -46.82 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.9 mm100 -69.68 -38.88 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.959 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD13 HG11 ' A' ' 17' ' ' VAL . 61.4 tp -60.96 -38.87 87.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.083 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -54.24 -46.43 72.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.064 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -68.08 -41.21 82.25 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 25' ' ' GLN . 87.4 t -58.02 -48.38 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.657 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 69' ' ' ILE . 59.8 t -69.17 -39.0 78.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.273 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.76 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.399 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.76 -28.28 68.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 111.373 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 HG22 ' A' ' 15' ' ' VAL . 45.2 ttt180 -69.66 -36.96 76.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -93.94 -6.47 45.42 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.36 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.28 40.01 50.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.012 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.456 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 28.2 m -124.86 153.43 70.74 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.567 0.222 . . . . 0.0 110.544 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 63.9 Cg_endo -76.52 130.43 11.77 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.317 2.011 . . . . 0.0 111.676 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.53 -3.85 39.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' CG ' HH21 ' A' ' 75' ' ' ARG . 27.3 t70 -58.37 -52.16 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.564 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 74' ' ' TRP . 13.4 mm100 -110.08 32.23 5.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.553 0.692 . . . . 0.0 110.182 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.7 tp -94.75 134.82 36.95 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.38 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -118.34 127.45 53.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.215 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.62 130.62 52.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.953 0.406 . . . . 0.0 111.081 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -119.85 104.93 16.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.331 0.586 . . . . 0.0 109.814 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 78.0 t80 -117.18 113.65 22.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.451 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.74 15.88 9.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.023 0.439 . . . . 0.0 111.289 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.17 -2.76 54.85 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.005 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 159.88 40.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.662 0.267 . . . . 0.0 111.378 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.57 162.53 23.11 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 23' ' ' ILE . 91.8 mt -108.47 165.98 11.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.018 0.437 . . . . 0.0 111.388 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -83.12 114.63 21.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.315 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.4 p-10 -60.91 -14.18 20.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.68 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.89 -9.4 55.8 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.424 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 8.2 t-105 -113.66 167.29 10.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.498 -0.881 . . . . 0.0 113.15 -175.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 68.2 p -76.33 152.3 36.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.893 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG23 HD22 ' A' ' 61' ' ' LEU . 14.0 p -73.31 -26.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.235 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.24 -49.88 67.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.501 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.408 ' HB3' ' HE1' ' A' ' 54' ' ' TRP . 2.8 t-20 -78.21 -14.01 59.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.65 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.81 -11.24 59.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.929 0.395 . . . . 0.0 110.174 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.3 50.75 3.68 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 67' ' ' VAL . 7.9 mp -80.6 -1.9 44.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.186 0.517 . . . . 0.0 111.034 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.88 -39.91 12.04 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.067 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -106.36 -29.86 9.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -88.52 84.0 6.79 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.813 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.22 151.59 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.495 HG21 HD23 ' A' ' 61' ' ' LEU . 10.9 t -81.27 134.46 27.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 116.836 -0.166 . . . . 0.0 110.646 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 10.0 m170 -117.63 114.35 23.26 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 30' ' ' VAL . 39.9 mt -111.79 127.52 68.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.444 0.64 . . . . 0.0 111.383 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.7 137.48 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.771 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' OE1' ' HB ' ' A' ' 36' ' ' VAL . 7.2 tt0 -107.03 124.11 49.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.726 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' GLN . 37.3 mmt180 -127.3 87.46 56.31 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.202 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 11.1 Cg_exo -72.15 80.64 1.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.771 2.314 . . . . 0.0 111.954 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.447 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . 5.7 m-90 -66.43 -6.81 15.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.483 HH21 ' CG ' ' A' ' 39' ' ' ASP . 26.7 ptt180 -137.58 29.08 2.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 111.987 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 37.9 mmtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.065 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 23.4 ttt . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 16' ' ' GLU . 65.5 mt -96.54 122.24 47.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.471 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.67 137.15 51.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.39 129.94 34.84 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.885 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.8 t -131.95 137.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -115.4 133.45 56.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.925 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 61.8 t80 -102.22 151.48 22.17 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -54.12 -22.03 10.08 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m -121.58 30.53 6.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.984 0.421 . . . . 0.0 110.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 43.4 t -145.88 156.73 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -81.97 -37.32 26.84 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.84 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.87 134.07 2.07 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.55 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -139.63 143.36 34.96 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.666 0.269 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.1 122.98 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.621 2.214 . . . . 0.0 111.941 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.37 126.69 60.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.815 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' A' ' 2' ' ' ILE . 1.2 tm-20 -92.4 117.02 29.5 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG11 HD13 ' A' ' 26' ' ' LEU . 11.6 m -135.72 167.16 25.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.96 166.42 18.87 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.011 0.434 . . . . 0.0 110.872 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -74.78 -6.48 49.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.52 8.51 12.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.738 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -66.81 123.05 19.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.475 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.3 m -77.72 147.3 35.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 51' ' ' ARG . 50.6 mm -55.87 -35.39 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 43.9 t80 -60.12 -42.63 95.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.366 . . . . 0.0 110.267 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.7 mm100 -69.51 -42.31 74.89 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 HG11 ' A' ' 17' ' ' VAL . 60.2 tp -56.66 -41.98 78.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.891 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.12 -47.44 86.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.116 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.75 -36.67 85.06 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.534 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' GLN . 73.4 t -58.79 -50.41 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.99 -47.39 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.81 96.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -65.91 -37.49 86.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.089 0.471 . . . . 0.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -65.52 -32.75 74.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.144 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -98.42 -11.73 22.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.515 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 28.03 56.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.619 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -107.09 156.45 37.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 122.651 -0.323 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -68.3 121.1 8.04 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.754 2.303 . . . . 0.0 111.681 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.5 -18.48 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -80.22 -6.39 57.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.282 0.563 . . . . 0.0 110.27 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.67 11.89 18.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.307 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' CG2' ' A' ' 69' ' ' ILE . 16.5 tp -106.43 141.29 37.99 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.085 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -122.03 131.82 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 m -101.69 114.14 40.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.285 0.564 . . . . 0.0 111.617 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.88 147.47 19.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.759 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -135.83 106.58 6.58 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.18 -62.46 0.36 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.963 0.789 . . . . 0.0 110.982 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.13 2.2 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -108.65 171.43 7.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.59 146.28 41.91 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' ILE . 65.7 mt -94.51 145.56 24.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.237 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -79.73 152.37 29.9 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 26.2 p-10 -72.56 -40.87 66.33 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -175.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.83 79.12 1.62 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.34 0.59 . . . . 0.0 110.63 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.1 t-105 -162.9 151.93 14.91 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.437 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -71.42 137.84 48.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.113 0.483 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 HD12 ' A' ' 61' ' ' LEU . 8.8 p -73.41 -26.62 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.625 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 29.9 tt0 -67.75 -33.89 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.05 0.452 . . . . 0.0 111.472 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.25 -7.28 59.39 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.102 0.477 . . . . 0.0 110.848 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 72.8 m -84.59 -12.9 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.14 35.01 21.18 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.013 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 56' ' ' VAL . 35.1 mt -68.76 -10.59 57.47 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.86 -25.47 11.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.558 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -88.35 -52.47 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -73.48 -70.94 0.34 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -96.07 153.04 3.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 t -80.76 135.24 25.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.725 0.297 . . . . 0.0 110.411 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -111.9 108.4 17.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.031 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 41' ' ' LEU . 28.2 mt -105.51 125.5 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-O 121.117 0.484 . . . . 0.0 111.136 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.19 141.83 43.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -109.6 138.48 45.91 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -120.14 86.1 36.94 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.143 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 89.4 Cg_endo -94.79 150.79 1.79 Allowed 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 123.076 2.518 . . . . 0.0 112.804 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -109.84 -23.53 11.33 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.651 ' NE ' ' HA ' ' A' ' 75' ' ' ARG . 4.1 mmp_? -111.55 12.63 21.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 6.8 mmpt? . . . . . 0 C--N 1.31 -1.124 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.669 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.884 0.373 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -105.44 110.65 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.719 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.26 151.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.106 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -96.67 135.77 38.14 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.1 135.94 47.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.48 0.657 . . . . 0.0 111.895 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 11' ' ' HIS . 42.6 mtp85 -107.03 109.18 21.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.048 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.6 151.48 22.45 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -41.16 -47.77 3.31 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.35 0.66 . . . . 0.0 112.65 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -103.95 32.34 3.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.014 0.435 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -137.16 175.03 9.98 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.744 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 48.5 m-70 -100.44 -57.69 2.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 110.512 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.34 97.55 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -115.37 147.98 39.85 Favored Pre-proline 0 C--N 1.313 -1.014 0 CA-C-O 120.755 0.312 . . . . 0.0 111.378 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.79 134.79 6.46 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 17' ' ' VAL . 49.3 t -115.59 129.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.981 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -90.63 113.05 25.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.07 0.462 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 15' ' ' VAL . 27.9 m -128.34 174.74 11.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.205 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -87.06 166.33 15.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -71.74 -33.49 68.73 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.267 0.556 . . . . 0.0 110.348 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.48 4.35 51.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.501 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.0 m -61.61 123.17 17.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.504 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 18.1 m -80.08 151.27 29.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.013 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -56.52 -29.56 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.311 0.577 . . . . 0.0 110.156 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -52.91 -56.41 16.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.57 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 mm-40 -73.32 -37.27 66.21 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.303 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD13 HG11 ' A' ' 17' ' ' VAL . 60.0 tp -53.75 -41.87 67.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.55 -43.95 96.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.366 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.36 -28.11 62.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.969 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 25' ' ' GLN . 95.3 t -65.85 -47.99 83.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.007 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.896 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.02 83.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.593 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -65.83 -45.02 83.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.526 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 HG22 ' A' ' 15' ' ' VAL . 63.9 ttt180 -64.48 -35.74 81.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.464 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -90.22 -23.83 21.15 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.938 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.54 44.48 8.55 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.778 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 34.7 m -129.51 150.27 75.16 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.414 0.15 . . . . 0.0 110.826 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -65.5 119.58 6.63 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.333 2.022 . . . . 0.0 111.467 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.47 63.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -63.92 -27.88 69.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.102 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' NE2' ' HB3' ' A' ' 74' ' ' TRP . 73.9 mt-30 -108.44 3.68 23.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.628 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.92 136.19 34.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.132 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -116.06 126.96 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.96 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -106.22 128.39 60.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.352 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.61 129.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.286 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -137.85 122.96 19.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.286 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.93 19.23 11.45 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.03 0.532 . . . . 0.0 111.748 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.74 -5.44 66.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.685 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -179.35 5.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.547 0.213 . . . . 0.0 111.035 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.0 164.03 12.1 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.862 0.363 . . . . 0.0 110.313 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt -114.41 155.41 26.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.993 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' H ' ' CD ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -65.01 134.35 53.68 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -70.27 -32.54 70.4 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -102.71 73.13 1.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.427 0.632 . . . . 0.0 111.495 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' SER . 29.4 t-105 -165.35 157.76 15.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.864 175.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.0 p -69.01 145.08 53.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.424 0.631 . . . . 0.0 112.249 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 HD13 ' A' ' 61' ' ' LEU . 12.4 p -80.06 -20.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.443 178.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -72.61 -29.17 63.26 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.39 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -36.36 23.87 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.4 -30.85 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 t70 62.48 92.0 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.009 0.924 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD13 HG23 ' A' ' 56' ' ' VAL . 7.9 mp -109.4 17.97 20.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -48.58 4.74 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.875 -1.511 . . . . 0.0 111.469 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -117.5 -32.71 4.82 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.39 -57.99 10.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 6' ' ' ARG . 20.8 tt -91.96 144.51 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' HD23 ' A' ' 61' ' ' LEU . 5.4 t -80.67 131.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-O 120.46 0.171 . . . . 0.0 110.725 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -108.57 114.6 28.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.1 mt -119.24 118.94 59.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-O 121.234 0.54 . . . . 0.0 111.352 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 m -111.27 141.27 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.395 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.7 tp60 -103.37 134.65 46.4 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -109.7 84.92 3.53 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.556 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 5.3 Cg_exo -75.04 101.22 1.44 Allowed 'Trans proline' 0 N--CA 1.443 -1.443 0 C-N-CA 122.579 2.186 . . . . 0.0 113.263 -174.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.524 ' HB3' ' NE2' ' A' ' 40' ' ' GLN . 43.8 t90 -93.48 -22.21 19.01 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HG2' HE22 ' A' ' 40' ' ' GLN . 3.6 ptp180 -152.26 88.35 1.37 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.658 175.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.006 -178.848 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' HA ' ' A' ' 57' ' ' GLN . 20.8 ttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG12 ' HG2' ' A' ' 16' ' ' GLU . 28.8 mt -125.56 131.72 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.678 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.34 157.99 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.429 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -97.22 139.13 33.66 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.239 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 14.5 p -135.36 135.15 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-O 121.303 0.573 . . . . 0.0 111.966 -176.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' CA ' ' A' ' 12' ' ' GLY . 13.0 mmm180 -106.84 101.15 10.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.019 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -87.34 147.6 25.41 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -52.34 125.24 15.43 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.313 0.383 . . . . 0.0 110.901 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m 70.69 16.8 6.73 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.6 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -128.18 -179.82 5.2 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -103.7 173.06 6.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -178.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 5' ' ' VAL . . . -85.65 83.7 1.61 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.309 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -91.49 147.25 34.91 Favored Pre-proline 0 C--N 1.312 -1.032 0 CA-C-O 120.683 0.278 . . . . 0.0 110.518 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.64 125.96 6.43 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.391 2.061 . . . . 0.0 111.958 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -107.62 129.29 61.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.346 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HG2' HG12 ' A' ' 2' ' ' ILE . 40.3 mt-10 -85.53 120.9 27.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.663 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 26' ' ' LEU . 27.8 m -128.73 -179.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.477 -178.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -91.74 171.71 8.97 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -178.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p -81.33 0.3 37.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.752 178.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -132.15 24.11 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.256 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 m -76.58 116.99 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.39 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 m -77.23 156.15 31.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.011 177.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 50' ' ' LEU . 41.6 mm -55.32 -38.79 49.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.889 0.376 . . . . 0.0 111.229 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 52' ' ' ASN . 68.0 t80 -64.8 -36.06 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.726 179.095 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.6 mt-30 -68.96 -45.11 71.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 17' ' ' VAL . 50.6 tp -58.93 -39.01 80.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 38' ' ' ALA . 88.3 tttt -58.56 -49.38 77.63 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.877 176.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.32 -46.75 87.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.364 179.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.8 t -55.0 -51.98 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.202 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.33 -35.85 72.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.797 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.0 62.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -68.99 -29.49 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.76 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -64.54 -39.26 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.187 0.518 . . . . 0.0 110.498 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -92.84 -6.72 48.18 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.287 -179.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.68 37.72 67.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.299 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.44 150.68 48.4 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.532 0.206 . . . . 0.0 110.727 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' OE1' ' A' ' 71' ' ' GLN . 31.3 Cg_endo -65.79 119.66 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.475 2.117 . . . . 0.0 111.476 178.133 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . -66.43 -23.83 66.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.146 -178.211 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -68.4 -24.53 64.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 80.5 mm-40 -108.21 12.35 26.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.391 0.615 . . . . 0.0 110.306 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -97.75 144.33 27.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.085 -178.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -122.99 130.11 52.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.731 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.93 122.97 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.127 0.489 . . . . 0.0 111.368 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -118.52 130.41 73.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.399 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 68.7 t80 -128.99 114.27 16.21 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.68 5.61 3.42 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.404 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.45 7.11 Favored Glycine 0 C--O 1.227 -0.331 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.709 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -113.02 170.75 7.98 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.48 138.39 39.46 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.8 mt -85.53 170.34 12.71 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.141 0.496 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 7.2 ptm180 -90.0 155.97 18.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.776 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 3.4 p-10 -72.64 -39.23 67.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -90.48 65.23 6.06 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.358 0.599 . . . . 0.0 110.372 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.476 ' NE1' ' HB2' ' A' ' 59' ' ' CYS . 26.1 t-105 -146.81 132.95 19.32 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.1 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -79.35 140.6 37.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.365 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 HD13 ' A' ' 61' ' ' LEU . 8.6 p -76.6 -24.89 15.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.814 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.526 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 24.3 tp60 -68.81 -42.9 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.132 -176.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.51 -18.66 56.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.102 0.477 . . . . 0.0 110.896 -178.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 26.1 t -90.25 -37.42 14.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 64.17 94.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.686 0.794 . . . . 0.0 111.205 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 9.6 mp -103.31 26.55 8.21 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.82 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.64 -43.57 3.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.864 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -90.55 -41.97 11.08 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -89.74 93.16 9.34 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD13 ' HG2' ' A' ' 6' ' ' ARG . 18.6 tt -126.21 153.27 34.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD23 ' A' ' 61' ' ' LEU . 10.7 t -80.83 129.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -177.262 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -107.16 111.05 23.3 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.89 121.59 66.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-O 121.187 0.518 . . . . 0.0 110.601 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -128.92 145.87 35.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.84 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' OE1' ' HD2' ' A' ' 37' ' ' PRO . 7.7 tt0 -95.51 124.64 39.63 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.97 89.34 7.24 Favored Pre-proline 0 C--N 1.31 -1.147 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.472 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 94.9 Cg_endo -87.32 141.79 5.96 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 122.794 2.33 . . . . 0.0 112.978 -178.101 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -111.22 -50.85 2.9 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -93.9 80.89 4.16 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.821 176.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 C--O 1.247 0.967 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.346 -179.188 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.58 111.69 37.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.76 144.1 16.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.839 0.352 . . . . 0.0 110.314 178.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB2' HG13 ' A' ' 66' ' ' ILE . 44.9 m-85 -87.83 125.89 34.72 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' A' ' 67' ' ' VAL . 69.6 t -131.93 134.24 60.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.443 -176.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 99.4 mtt180 -107.96 100.71 10.03 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.103 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 9' ' ' SER . 50.9 t80 -85.99 108.79 18.38 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 -178.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 9' ' ' SER . 5.5 t30 -78.01 88.42 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.229 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 33.1 t 168.11 -34.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.504 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 t -124.27 -78.78 0.6 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.146 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -173.22 169.53 4.51 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 6' ' ' ARG . . . -85.25 128.67 8.85 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.499 178.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -140.56 150.01 59.07 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 116.64 0.22 . . . . 0.0 110.493 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 121.99 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.275 1.983 . . . . 0.0 111.141 177.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.6 t -94.47 119.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.135 0.493 . . . . 0.0 110.203 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -90.83 111.82 23.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.884 -178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 26' ' ' LEU . 16.5 m -126.68 -177.49 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.6 162.21 14.27 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -64.56 -23.44 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.071 177.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -110.98 66.42 0.63 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.565 0.698 . . . . 0.0 109.954 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -116.75 114.24 23.71 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.94 178.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' TRP . 37.2 m -69.65 149.68 47.83 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 178.578 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.19 -39.93 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.611 0.244 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.464 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 69.9 t80 -61.72 -47.61 84.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.968 0.413 . . . . 0.0 110.269 177.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 29' ' ' VAL . 14.8 mm100 -63.67 -41.39 98.18 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.079 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 HG11 ' A' ' 17' ' ' VAL . 53.8 tp -57.21 -47.14 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.514 178.469 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.37 -43.75 92.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.142 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.49 -36.48 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.02 178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 25' ' ' GLN . 66.8 t -62.62 -50.39 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.397 178.099 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.18 -39.5 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.172 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -59.98 -52.48 65.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.694 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -34.43 72.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.605 -178.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.4 ttt180 -67.67 -30.02 69.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 -177.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -103.78 -6.76 21.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.72 55.98 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.046 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 31' ' ' ALA . 18.7 m -136.56 153.49 76.06 Favored Pre-proline 0 C--N 1.318 -0.789 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.718 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.19 117.35 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.242 1.962 . . . . 0.0 111.925 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.28 -37.83 88.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.745 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.565 ' OE1' ' HA ' ' A' ' 73' ' ' PRO . 73.3 mt-30 -102.79 19.39 19.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.483 0.659 . . . . 0.0 110.589 -178.071 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.7 tp -101.62 151.84 21.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.303 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -130.81 137.97 49.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.57 0.224 . . . . 0.0 110.534 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.54 129.18 75.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.174 0.511 . . . . 0.0 111.14 178.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -123.86 132.36 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.566 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 61' ' ' LEU . 88.6 t80 -133.93 124.36 26.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.19 22.69 13.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.73 11.63 70.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -142.83 -178.45 5.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -111.55 138.36 48.18 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.88 166.76 12.89 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.585 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -73.16 142.92 47.43 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.373 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 24' ' ' PHE . 87.3 m-20 -74.32 -26.76 60.36 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 120.9 0.381 . . . . 0.0 111.455 -177.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -102.92 67.91 0.98 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.066 -175.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' SER . 19.2 t-105 -161.82 151.88 16.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.405 177.127 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -73.73 142.53 46.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.309 0.576 . . . . 0.0 111.961 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 61' ' ' LEU . 12.6 p -72.11 -25.37 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -59.15 -42.54 90.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.296 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.53 -1.54 58.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.061 0.458 . . . . 0.0 111.037 -177.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.421 ' SG ' ' HD1' ' A' ' 54' ' ' TRP . 72.7 m -95.78 -17.6 21.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.671 178.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 57.33 55.46 5.81 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . 11.1 mp -76.75 -0.59 24.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.155 0.502 . . . . 0.0 111.455 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.98 -8.19 18.74 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.243 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -118.78 -56.84 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -80.2 103.63 10.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.049 -176.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 4' ' ' PHE . 21.0 tt -139.42 154.07 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 5' ' ' VAL . 4.5 t -81.69 129.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 -177.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -106.88 108.68 20.31 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.38 129.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 -178.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -135.2 148.75 28.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.953 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.511 ' NE2' ' HG3' ' A' ' 73' ' ' PRO . 3.3 pt20 -111.1 157.61 19.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -147.07 76.15 11.43 Favored Pre-proline 0 C--N 1.313 -1.012 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.565 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 Cg_endo -89.28 123.34 1.31 Allowed 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 122.921 2.414 . . . . 0.0 112.941 -176.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -101.42 -31.4 10.94 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -99.35 9.04 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.006 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 75.2 mmtt . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.797 179.096 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.591 0.234 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.1 mm -93.27 123.11 45.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.533 178.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 62' ' ' ASP . 29.6 m -115.06 157.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -101.84 132.34 47.67 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.78 141.28 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.059 0.457 . . . . 0.0 111.563 -177.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -115.52 119.36 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.149 176.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -100.51 113.88 27.03 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.589 0.233 . . . . 0.0 110.901 -178.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.66 48.55 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.295 178.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t 70.79 12.5 7.18 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.19 177.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 p -65.56 168.97 6.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.309 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -51.73 -68.47 0.17 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.245 0.34 . . . . 0.0 111.825 -177.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.4 131.77 1.56 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.363 -0.923 . . . . 0.0 111.885 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -130.1 145.85 59.01 Favored Pre-proline 0 C--N 1.309 -1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.1 114.85 2.26 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.752 2.301 . . . . 0.0 112.243 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -99.92 125.91 53.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -82.46 118.73 23.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 179.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -120.71 170.0 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 178.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.92 170.08 8.07 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 p -67.22 -18.52 65.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.68 24.95 11.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.467 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.0 m -87.33 115.3 24.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.128 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -79.61 167.12 21.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.36 -29.17 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.45 -51.59 69.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.484 175.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.2 mm100 -66.87 -45.08 79.24 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.69 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 tp -56.12 -43.18 77.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -58.55 -46.01 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.036 178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.425 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 75.1 t -59.43 -53.53 46.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.689 179.028 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.62 -38.29 81.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.885 0.374 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.64 -45.13 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.9 -29.89 67.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 -178.031 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 30.3 mtp-105 -65.44 -44.42 87.37 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.941 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.37 -34.31 28.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.219 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.8 41.82 4.3 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.53 156.24 55.9 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.638 -0.281 . . . . 0.0 110.423 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.65 119.32 6.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.641 2.227 . . . . 0.0 111.617 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.82 -21.74 56.99 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.99 -51.11 35.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.566 0.222 . . . . 0.0 111.413 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -89.22 22.02 3.01 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.849 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 31' ' ' ALA . 40.0 tp -93.18 138.58 31.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.254 177.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -119.88 125.58 48.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.05 0.452 . . . . 0.0 111.867 -177.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -97.38 133.16 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.59 176.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -130.68 136.68 57.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.218 0.532 . . . . 0.0 111.094 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -140.66 113.52 8.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.18 177.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 22.88 12.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.924 0.49 . . . . 0.0 111.75 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 -16.96 53.8 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.624 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 158.85 26.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 117.143 0.472 . . . . 0.0 111.254 -178.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -91.13 147.49 23.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 178.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.5 mt -91.44 150.22 21.34 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.86 133.39 54.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.305 177.592 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -64.32 -40.86 96.75 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.079 -177.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.11 70.37 7.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.645 0.736 . . . . 0.0 110.736 -177.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -164.0 135.33 4.59 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.352 177.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -65.61 139.93 58.47 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.331 0.586 . . . . 0.0 112.362 -178.212 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.38 -19.97 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.278 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -35.65 78.92 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.286 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.04 -2.13 57.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 110.046 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.54 -31.86 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.717 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.35 42.44 9.14 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.771 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.51 1.4 2.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.945 -179.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.491 ' HB3' HG12 ' A' ' 3' ' ' VAL . 7.1 p-10 -101.58 -29.8 11.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.539 178.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.65 -13.83 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.376 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -94.56 -154.75 0.43 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 tt -90.41 144.34 9.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -81.39 130.54 35.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -103.34 128.94 50.29 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.76 129.08 66.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.67 139.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.034 0.445 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.528 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 2.7 pt20 -103.65 158.83 16.11 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.03 179.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -96.88 99.75 6.31 Favored Pre-proline 0 C--N 1.311 -1.067 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 173.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 71' ' ' GLN . 2.7 Cg_exo -75.63 102.39 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 122.583 2.189 . . . . 0.0 112.951 -176.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -80.84 94.13 6.39 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.924 176.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 56.83 38.71 29.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.373 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.573 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.47 124.95 46.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.46 149.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-O 120.697 0.284 . . . . 0.0 110.512 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -92.16 130.69 37.82 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.03 134.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.158 0.504 . . . . 0.0 111.688 -177.285 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' NH2' ' HA ' ' A' ' 10' ' ' SER . 56.4 mtp180 -106.55 144.14 33.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.843 177.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -133.44 109.82 9.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.57 -60.71 0.38 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.942 0.776 . . . . 0.0 113.083 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -82.86 177.61 8.57 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.21 0.528 . . . . 0.0 111.503 -178.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.517 ' HA ' ' NH2' ' A' ' 6' ' ' ARG . 14.5 m -78.9 -18.13 54.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.741 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.11 138.07 56.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 178.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.09 126.81 6.72 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.654 179.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.2 p90 -104.36 151.94 39.2 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' PHE . 5.1 Cg_endo -87.24 126.27 2.31 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.745 2.297 . . . . 0.0 112.534 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.1 119.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.085 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -82.81 121.34 26.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.449 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.4 172.05 13.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.732 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -92.38 175.43 6.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.099 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 p -67.62 -36.04 80.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 111.321 -178.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -111.81 23.68 13.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -67.65 114.67 6.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -65.77 147.79 52.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 41.7 mm -56.62 -36.02 47.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 52' ' ' ASN . 76.3 t80 -60.1 -42.98 95.85 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.026 0.441 . . . . 0.0 110.028 177.632 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.8 mm-40 -61.74 -47.07 86.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.298 179.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.583 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.57 -46.19 87.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.898 177.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.8 mm-40 -63.34 -41.19 98.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.216 178.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 25' ' ' GLN . 62.6 t -57.36 -49.63 79.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.166 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.579 178.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.52 -40.97 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.04 -55.14 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.505 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 18.8 ptpt -68.24 -29.52 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.187 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -71.51 -26.84 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.009 0.433 . . . . 0.0 110.863 -178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -107.68 3.65 24.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -178.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.08 47.67 63.75 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.55 177.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.47 151.36 77.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.938 0.369 . . . . 0.0 110.883 178.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.86 119.12 5.72 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.562 2.175 . . . . 0.0 111.814 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.5 -24.01 67.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.574 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.42 -23.66 67.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.888 0.375 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -118.31 23.82 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.295 0.569 . . . . 0.0 110.174 -179.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -102.59 139.17 38.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.88 -178.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 11.8 tpp180 -111.8 131.13 55.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -179.716 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.35 106.72 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.514 0.673 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.43 101.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-O 121.282 0.563 . . . . 0.0 110.788 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -90.79 111.39 22.75 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.12 -63.36 0.37 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.979 0.8 . . . . 0.0 110.84 -176.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.15 12.92 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.298 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.78 166.64 32.9 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.158 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.583 ' OE1' ' HD3' ' A' ' 42' ' ' ARG . 4.2 mm-40 -74.15 156.86 36.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.139 177.078 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 23' ' ' ILE . 59.8 mt -108.53 163.69 13.01 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.368 0.604 . . . . 0.0 111.208 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -74.04 108.13 6.66 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.629 176.421 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 49.6 m-80 -64.19 -28.13 69.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.18 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.28 -17.67 38.9 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' HB3' ' HG2' ' A' ' 51' ' ' ARG . 9.4 t-105 -99.12 172.92 7.07 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.286 -0.566 . . . . 0.0 111.483 -176.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -76.55 153.58 35.28 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.657 0.741 . . . . 0.0 112.976 -174.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.52 -30.36 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.468 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.54 -38.93 92.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 -178.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.99 -21.22 63.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 0.0 110.952 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 60.5 m -81.0 -22.51 39.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 21.1 m-20 64.52 61.04 0.87 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.58 -23.23 53.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 178.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.21 -30.57 23.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 60' ' ' ASP . 33.2 tt0 -85.05 -48.53 9.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.484 -179.338 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -85.78 -152.66 0.17 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.662 0.268 . . . . 0.0 111.471 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' HG3' ' A' ' 6' ' ' ARG . 19.0 tt -95.8 157.25 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.704 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.16 127.32 40.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.523 0.201 . . . . 0.0 110.591 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.84 106.89 18.79 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -108.57 130.57 61.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.243 0.544 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.83 150.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.088 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -102.23 148.84 24.95 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.97 -178.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -134.99 87.36 29.77 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' HB2' ' HB3' ' A' ' 76' ' ' LYS . 91.4 Cg_endo -83.91 139.35 8.5 Favored 'Trans proline' 0 N--CA 1.442 -1.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.296 -178.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -122.2 120.87 35.44 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 70.8 17.12 6.53 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.389 0.676 . . . . 0.0 111.161 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 73' ' ' PRO . 25.6 tptp . . . . . 0 N--CA 1.431 -1.39 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.446 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 120.76 0.314 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.4 mt -104.08 117.23 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.71 165.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.34 140.92 42.4 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.622 0.248 . . . . 0.0 110.451 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -138.36 143.05 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.332 0.587 . . . . 0.0 111.877 -177.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -115.28 111.98 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.469 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 49.2 t80 -93.73 140.18 29.95 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.637 178.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.03 -50.85 26.44 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -94.51 29.49 2.25 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.553 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 4.3 t -153.12 -167.94 2.87 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -113.02 -172.44 2.06 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.23 120.71 5.34 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.167 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -135.83 151.28 73.77 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-O 120.525 0.202 . . . . 0.0 110.667 178.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.05 144.63 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.531 2.154 . . . . 0.0 112.439 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.27 118.8 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.939 177.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.94 127.25 33.35 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.957 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.39 166.66 11.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.959 -177.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -103.19 -177.72 3.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.583 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 25.1 m -77.1 -13.09 60.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.424 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.68 19.13 12.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.572 -178.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -81.57 100.67 9.52 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.884 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -68.58 150.68 47.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.619 ' HB ' ' HA ' ' A' ' 52' ' ' ASN . 45.9 mm -57.29 -34.54 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.105 0.479 . . . . 0.0 110.533 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -61.3 -42.95 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 54.1 mt-30 -68.44 -44.12 75.61 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.901 178.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.01 -42.72 76.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.178 0.513 . . . . 0.0 110.103 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.05 -44.3 87.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.981 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' ' HB1' ' A' ' 38' ' ' ALA . 51.5 mt-10 -71.52 -32.4 68.15 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.395 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' GLN . 68.9 t -62.7 -47.69 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.432 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.25 -41.41 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.143 178.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' HB2' HD22 ' A' ' 41' ' ' LEU . . . -62.66 -42.45 99.62 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.167 0.508 . . . . 0.0 110.709 178.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.26 -41.54 96.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -66.91 -31.3 71.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.947 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -96.76 -10.53 26.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.762 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.72 48.11 51.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.18 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.45 155.69 80.68 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 111.88 1.09 Allowed 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.604 2.203 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 28' ' ' GLU . . . -69.59 -29.42 66.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.896 -177.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.84 -31.06 70.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -96.08 8.91 42.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 31' ' ' ALA . 22.7 tp -96.28 141.84 29.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.058 -179.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 42' ' ' ARG . 3.8 ttt180 -127.61 149.17 50.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.668 0.271 . . . . 0.0 110.692 -178.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.61 142.08 23.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.834 0.349 . . . . 0.0 111.29 179.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -130.87 119.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -138.03 124.16 20.35 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.7 20.35 11.52 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 -179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.96 66.48 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.895 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 164.73 29.62 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.557 -0.378 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -89.89 154.09 20.13 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.621 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HG21 ' A' ' 23' ' ' ILE . 75.9 mt -86.16 -177.36 6.25 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.815 -176.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -81.69 -14.11 56.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.091 -177.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.619 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 79.4 m-20 67.74 -60.3 0.4 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 175.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -66.58 -35.04 79.24 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 58' ' ' ASN . 1.2 t90 -77.66 164.41 25.33 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.733 -174.521 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 t -74.95 152.7 38.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 112.227 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.68 -16.43 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.669 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 19' ' ' SER . 6.2 tp-100 -63.16 -37.53 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 111.079 -177.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 2.9 t30 -90.55 8.74 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.542 0.687 . . . . 0.0 109.914 179.598 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.3 94.99 4.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.7 95.42 0.11 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.926 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 67' ' ' VAL . 8.9 mp -110.33 0.37 17.97 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.867 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -86.89 -42.48 13.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.932 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -104.81 27.03 8.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.906 0.384 . . . . 0.0 111.257 -179.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB3' ' H ' ' A' ' 65' ' ' SEP . 27.1 mm-40 -127.86 -159.65 0.96 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' SEP . . . . . 0.403 ' H ' ' HB3' ' A' ' 64' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt -91.56 143.48 11.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 120.811 0.338 . . . . 0.0 110.098 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -81.44 131.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.001 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -105.39 135.75 46.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.4 mt -128.65 122.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-O 121.082 0.468 . . . . 0.0 111.197 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -118.35 144.29 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -101.17 138.36 38.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -118.25 95.82 48.97 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.986 0.422 . . . . 0.0 110.838 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -90.27 174.3 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.083 2.522 . . . . 0.0 112.128 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -81.01 77.32 7.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.94 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 54.95 83.48 0.08 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.471 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.824 -0.607 . . . . 0.0 110.496 178.639 . . . . . . . . 0 0 . 1 stop_ save_